Sugi Predict

Sugi Predict / Compounds / SCHEMBL5598458

SCHEMBL5598458

SCHEMBL5598458

CCCOC(=O)CCc1cccc(C(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ IAPP P10997 4/20 0.43
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ CDYL Q9Y232 1/20 0.43
▸ FAAH O00519 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ GABRB3 P28472 1/20 0.42

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
SCHEMBL5598808 0.90 CDYL (0.42) MAPK1IAPPCYP4F2CYP4A11CDYL
SCHEMBL6902265 0.89 CYP4F2 (0.56) IAPPCYP4F2CYP4A11FAAHCA1
SCHEMBL5598810 0.82 IAPP (0.51) IAPPCYP4F2CYP4A11CDYLGABRA1
SCHEMBL6904692 0.81 CYP4F2 (0.53) IAPPCYP4F2CYP4A11FAAHCA1
SCHEMBL5598826 0.80 MAPK1 (0.47) MAPK1FAAHCA1CA2LMNA
SCHEMBL28008712 0.80 CYP4F2 (0.48) MAPK1CYP4F2CYP4A11CYP1A2CYP3A4
SCHEMBL6902810 0.78 CYP4F2 (0.54) IAPPCYP4F2CYP4A11CDYLLMNA
SCHEMBL5599080 0.78 FAAH (0.49) MAPK1FAAHCA1CA2LMNA
SCHEMBL7066182 0.77 GABRA1 (0.59) IAPPFAAHCA1CA2LMNA
SCHEMBL31028132 0.77 GABRA1 (0.59) IAPPFAAHCA1CA2LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226946-B2 Substituted phenol compounds useful for anesthesia and sedation THERAVANCE, INC. (US) 2007-06-05 — — US disclosed
US-20050032753-A1 Substituted phenol compounds useful for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-10 — — US disclosed
US-6815555-B2 CONTAINING AN ESTER, ANHYDRIDE, PHOSPHONATE OR THIOESTER GROUP THERAVANCE, INC. 2004-11-09 — — US disclosed
EP-1430017-A2 SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION Theravance, Inc. (US) 2004-06-23 — — EP disclosed
US-20030119790-A1 Substituted phenol compounds useful for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2003-06-26 — — US disclosed
WO-2003026632-A2 SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION THERAVANCE, INC. (US) 2003-04-03 — — WO 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 (2 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-20050032753-A1 Substituted phenol compounds useful for anesthesia and sedation OPRL1, PNMT, PPARG MAPK1 3690/4885IAPP 4498/4885CYP4F2 532/4885
US-20030119790-A1 Substituted phenol compounds useful for anesthesia and sedation OPRL1, PNMT, PPARG MAPK1 3690/4885IAPP 4498/4885CYP4F2 532/4885

“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.