SCHEMBL3548012

SCHEMBL3548012

Cc1onc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 0.66
POLB P06746 1/20 0.57
NPC1 O15118 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
GHSR Q92847 1/20 0.55
GABRA5 P31644 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.49
DHODH Q02127 1/20 0.49

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
SCHEMBL5708155 0.87 GPBAR1 (0.66) GPBAR1POLBNPC1MEN1KMT2A
SCHEMBL1575050 0.87 GPBAR1 (0.66) GPBAR1POLBNPC1MEN1KMT2A
SCHEMBL3862966 0.87 KMT2A (0.59) GPBAR1POLBMEN1KMT2AGAA
SCHEMBL7769050 0.85 KMT2A (0.58) GPBAR1POLBNPC1MEN1KMT2A
SCHEMBL12310938 0.85 KMT2A (0.58) GPBAR1POLBNPC1MEN1KMT2A
SCHEMBL316093 0.85 KMT2A (0.76) GPBAR1POLBMEN1KMT2AGAA
SCHEMBL7771555 0.84 KMT2A (0.60) GPBAR1POLBNPC1MEN1KMT2A
SCHEMBL457706 0.84 GPBAR1 (0.59) GPBAR1NPC1MEN1KMT2AGAA
SCHEMBL1246411 0.84 KMT2A (0.56) GPBAR1POLBMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL4846563 0.83 KMT2A (0.73) GPBAR1POLBMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768827-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS HOFFMANN LA ROCHE (CH) 2016-11-23 EP disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
EP-2690095-A1 Aryl gpr120 receptor agonists and uses thereof Camabay Therapeutics, Inc. (US) 2014-01-29 EP disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
CN-101346372-B Aryl-isoxazol-4-yl-oxadiazole derivatives HOFFMANN LA ROCHE 2011-09-28 CN disclosed
US-20100216827-A1 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2010-08-26 US disclosed
US-20100216827-A1 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2010-08-26 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
CN-101346372-A Aryl-isoxazol-4-yl-oxadiazole derivatives HOFFMANN LA ROCHE (CH) 2009-01-14 CN disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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 (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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 GPBAR1 365/4885POLB 2575/4885NPC1 1594/4885
US-20100216827-A1 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR GPBAR1 26/4885POLB 4398/4885NPC1 534/4885

“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.