Sugi Predict

Sugi Predict / Compounds / SCHEMBL2396662

SCHEMBL2396662

SCHEMBL2396662

COc1ccc2[nH]c(C(=O)O)c(C)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.72
▸ ALDH1A1 P00352 7/20 0.72
▸ MAPT P10636 4/20 0.72
▸ HPGD P15428 3/20 0.72
▸ RAB9A P51151 2/20 0.72
▸ NPC1 O15118 1/20 0.72
▸ HSD17B10 Q99714 4/20 0.64
▸ KMT2A Q03164 13/20 0.63
▸ MEN1 O00255 12/20 0.63
▸ GAA P10253 9/20 0.60
▸ POLB P06746 3/20 0.60
▸ GFER P55789 2/20 0.60
▸ CDK5 Q00535 2/20 0.60
▸ CDK5R1 Q15078 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ GSK3A P49840 1/20 0.60
▸ GSK3B P49841 1/20 0.60
▸ MDM2 Q00987 1/20 0.59
▸ TSHR P16473 1/20 0.58

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
SCHEMBL7856277 0.88 KDM4E (0.77) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL1144751 0.87 GPR17 (0.64) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL30779659 0.86 KDM4E (0.63) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL38662825 0.86 KDM4E (0.63) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL7249991 0.85 ALDH1A1 (0.73) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL2730951 0.84 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL28095440 0.84 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL4344048 0.84 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL3993248 0.84 ALDH1A1 (1.00) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL4522325 0.83 KDM4E (0.62) KDM4EALDH1A1MAPTHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 — — US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 — — US disclosed
US-8202993-B2 5-bromo-1'-[(6-bromo-1H-indol-2-yl)carbonyl]spiro[indole-3,4'-piperidin]-2(1H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
US-8022213-B2 6'-Bromo-1-[(5-methoxy-3-methyl-1H-indol-2-yl)carbonyl]-1'H-spiro[piperidine-4,4'-quinolin]-2'(3'H)-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2011-09-20 — — US disclosed
EP-2099799-B1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 — — EP disclosed
EP-2102207-B1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-02 — — EP disclosed
EP-2102207-A1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-23 — — EP disclosed
US-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands KARO BIO AB (SE) 2009-09-17 — — US disclosed
EP-2035377-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2009-03-18 — — EP disclosed
US-7432259-B2 Spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 — — US disclosed
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-19 — — US disclosed
WO-2008068185-A1 SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 — — WO disclosed
US-20080139553-A1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-06-12 — — US disclosed
US-20080139554-A1 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-06-12 — — US disclosed
WO-2007134864-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2007-11-29 — — WO disclosed
EP-1846409-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES Pfizer Limited (GB) 2007-10-24 — — EP disclosed
EP-1671972-A1 Octahydropyrrolo[3,4-c]pyrrole derivatives Pfizer Limited (GB) 2006-06-21 — — EP disclosed
WO-2006056848-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES PFIZER LIMITED (GB) 2006-06-01 — — WO disclosed
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives PFIZER INC. 2006-05-25 — — US disclosed
WO-1990009375-A1 INDOLE DERIVATIVES CONSEJO SUPERIOR INVESTIGACIONES CIENTIFICAS (ES) 1990-08-23 — — 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 (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-20080139553-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 KDM4E 1423/4885ALDH1A1 275/4885MAPT 2169/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H KDM4E 830/4885ALDH1A1 2882/4885MAPT 2659/4885
US-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands TSHR, TRHR, THRA KDM4E 1169/4885ALDH1A1 1439/4885MAPT 3535/4885
US-20080139554-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 KDM4E 1423/4885ALDH1A1 275/4885MAPT 2169/4885
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives DPYD, PAH, DHPS KDM4E 818/4885ALDH1A1 275/4885MAPT 1856/4885
US-20080146568-A1 SPIRO-PIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 KDM4E 1423/4885ALDH1A1 275/4885MAPT 2169/4885

“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.