Sugi Predict

Sugi Predict / Compounds / SCHEMBL4867593

SCHEMBL4867593

SCHEMBL4867593

C[C@H](O)c1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ UGT2B7 P16662 1/20 0.43
▸ ACACB O00763 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PTPN5 P54829 1/20 0.37
▸ PGR P06401 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TPMT P51580 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12812583 1.00 NOS3 (0.45) NOS3NOS1UGT2B7ACACBALDH1A1
SCHEMBL1625341 1.00 NOS3 (0.45) NOS3NOS1UGT2B7ACACBALDH1A1
SCHEMBL9331190 0.85 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1PTPN5
SCHEMBL9331061 0.85 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1PTPN5
SCHEMBL9331652 0.85 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1PTPN5
SCHEMBL40655 0.85 NOS3 (0.54) NOS3NOS1UGT2B7ALDH1A1PTPN5
SCHEMBL663810 0.79 ACACB (0.39) ACACBALDH1A1CYP2D6APEX1
SCHEMBL672518 0.77 ESR1 (0.52) ACACBESR1PDCD1ESR2CD274
SCHEMBL10714 0.77 TYR (0.46) ACACBCYP1A2CYP2D6
SCHEMBL21708803 0.77 TPMT (0.38) ACACBTPMTGSK3BCA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207916-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives Zolle, Ilse (AT) 2008-08-28 — — US claimed
CN-119776301-A Alcohol dehydrogenase, recombinant genetically engineered bacterium and application thereof in asymmetric reduction of potential chiral carbonyl compounds 杭州文德阶生物科技有限公司 2025-04-08 — — CN disclosed
EP-3114126-B1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-31 — — EP disclosed
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-23 — — US disclosed
EP-3083567-B1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-07 — — EP disclosed
EP-3044211-B1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-01-03 — — EP disclosed
US-9802901-B2 Antibacterial 2H-indazole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-31 — — US disclosed
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-20 — — US disclosed
US-9624206-B2 Antibacterial 1H-indazole and 1H-indole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2017-04-18 — — US disclosed
US-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-02-02 — — US disclosed
US-7358369-B2 Radio-halogenated carboxylic ester derivatives of phenylethyl imidazole tomography/scintigraphy imaging for detection of adrenal cortical pathology, e.g. incidentaloma, adenoma, primary and metastatic cortical carcinoma; highly selective with a high rate of accumulation in adrenals; antitumor agents Zolle, Ilse (AT) 2008-04-15 — — US disclosed
US-7358369-B2 Radio-halogenated carboxylic ester derivatives of phenylethyl imidazole tomography/scintigraphy imaging for detection of adrenal cortical pathology, e.g. incidentaloma, adenoma, primary and metastatic cortical carcinoma; highly selective with a high rate of accumulation in adrenals; antitumor agents Zolle, Ilse (AT) 2008-04-15 — — US disclosed
US-7358369-B2 Radio-halogenated carboxylic ester derivatives of phenylethyl imidazole tomography/scintigraphy imaging for detection of adrenal cortical pathology, e.g. incidentaloma, adenoma, primary and metastatic cortical carcinoma; highly selective with a high rate of accumulation in adrenals; antitumor agents Zolle, Ilse (AT) 2008-04-15 — — US disclosed
US-7189859-B2 Radiolabelled phenylethyl imidazole carboxylic acid ester derivatives ZOLLE, ILSE (AT) 2007-03-13 — — US disclosed
US-7189859-B2 Radiolabelled phenylethyl imidazole carboxylic acid ester derivatives ZOLLE, ILSE (AT) 2007-03-13 — — US disclosed
US-7189859-B2 Radiolabelled phenylethyl imidazole carboxylic acid ester derivatives ZOLLE, ILSE (AT) 2007-03-13 — — US disclosed
US-20070036718-A1 Radio-halogenated carboxylic ester derivatives of phenylethyl imidazole tomography/scintigraphy imaging for detection of adrenal cortical pathology, e.g. incidentaloma, adenoma, primary and metastatic cortical carcinoma; highly selective with a high rate of accumulation in adrenals; antitumor agents ZOLLE, ILSE (AT) 2007-02-15 — — US disclosed
US-20070036718-A1 Radio-halogenated carboxylic ester derivatives of phenylethyl imidazole tomography/scintigraphy imaging for detection of adrenal cortical pathology, e.g. incidentaloma, adenoma, primary and metastatic cortical carcinoma; highly selective with a high rate of accumulation in adrenals; antitumor agents ZOLLE, ILSE (AT) 2007-02-15 — — US disclosed
US-20070036718-A1 Radio-halogenated carboxylic ester derivatives of phenylethyl imidazole tomography/scintigraphy imaging for detection of adrenal cortical pathology, e.g. incidentaloma, adenoma, primary and metastatic cortical carcinoma; highly selective with a high rate of accumulation in adrenals; antitumor agents ZOLLE, ILSE (AT) 2007-02-15 — — US disclosed
US-20050033060-A1 Radiolabelled phenylethyl imidazole caboxylic acid ester derivatives ZOLLE, ILSE (AT) 2005-02-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES MRPL21, PYM1, DRD3 NOS3 678/4885NOS1 870/4885UGT2B7 3448/4885
US-20070036718-A1 Radio-halogenated carboxylic ester derivatives of phenylethyl imidazole tomography/scintigraphy imaging for detection of adrenal cortical pathology, e.g. incidentaloma, adenoma, primary and metastatic cortical carcinoma; highly selective with a high rate of accumulation in adrenals; antitumor agents CDC73, TPD52L2, NTRK1 NOS3 2975/4885NOS1 3911/4885UGT2B7 590/4885
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents CCNI, H1-0, H1-3 NOS3 294/4885NOS1 211/4885UGT2B7 3258/4885
US-20080207916-A1 Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives PAICS, PIGO, GRPR NOS3 3648/4885NOS1 3571/4885UGT2B7 1198/4885
US-20050033060-A1 Radiolabelled phenylethyl imidazole caboxylic acid ester derivatives CDC73, BRDT, TEC NOS3 4238/4885NOS1 4534/4885UGT2B7 314/4885
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS CCNI, H1-0, H1-3 NOS3 294/4885NOS1 211/4885UGT2B7 3258/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.