SCHEMBL1645260

SCHEMBL1645260

CCOC(=O)c1ccc(C(=O)O)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
MAPT P10636 3/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44

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
SCHEMBL5642066 0.92 CYP1A2 (0.64) CYP1A2MAPTALDH1A1LMNATSHR
SCHEMBL13197220 0.85 CYP1A2 (0.56) CYP1A2MAPTALDH1A1LMNATSHR
SCHEMBL29524945 0.85 CYP1A2 (0.56) CYP1A2MAPTALDH1A1LMNATSHR
SCHEMBL5169193 0.83 CYP1A2 (0.55) CYP1A2MAPTALDH1A1LMNATSHR
SCHEMBL24880489 0.81 CYP1A2 (0.53) CYP1A2MAPTALDH1A1LMNATSHR
SCHEMBL12228821 0.81 CYP1A2 (0.53) CYP1A2MAPTALDH1A1LMNATSHR
SCHEMBL2473041 0.81 CYP1A2 (0.53) CYP1A2MAPTALDH1A1LMNATSHR
SCHEMBL1646668 0.80 CYP1A2 (0.51) CYP1A2MAPTALDH1A1LMNATSHR
SCHEMBL30831836 0.80 CYP1A2 (0.51) CYP1A2MAPTALDH1A1LMNATSHR
SCHEMBL5642986 0.79 CYP1A2 (0.50) CYP1A2MAPTALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
US-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 US disclosed
CN-102076660-A Sulfonamide compound or salt thereof ASTELLAS PHARMA INC 2011-05-25 CN disclosed
EP-2305641-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-04-06 EP disclosed
US-7189851-B2 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 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-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB CYP1A2 3960/4885MAPT 3734/4885ALDH1A1 4200/4885
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF PTGER1, PTGER2, GPER1 CYP1A2 1777/4885MAPT 4794/4885ALDH1A1 614/4885

“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.