SCHEMBL7473537

SCHEMBL7473537

CC(C)Nc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
MMP2 P08253 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
RAPGEF4 Q8WZA2 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46

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
Hydrochloric Acid SCHEMBL5234166 0.98 CA1 (0.53) CA1MMP2CA14TDP1RAPGEF4
SCHEMBL11674687 0.85 CA1 (0.53) CA1MMP2CA14RAPGEF4ALDH1A1
SCHEMBL9313156 0.84 TDP1 (0.67) MMP2CA14TDP1ALDH1A1LMNA
SCHEMBL10997322 0.79 CA1 (0.47) CA1MMP2CA14RAPGEF4ALDH1A1
SCHEMBL17439311 0.79 ALDH1A1 (0.53) CA1MMP2CA14RAPGEF4ALDH1A1
SCHEMBL1432227 0.78 GAA (0.50) CA1MMP2CA14RAPGEF4ALDH1A1
SCHEMBL19748760 0.77 CA1 (0.54) CA1MMP2CA14ALDH1A1LMNA
SCHEMBL31487651 0.77 CA1 (0.54) CA1MMP2CA14ALDH1A1LMNA
SCHEMBL29430360 0.77 CA1 (0.54) CA1MMP2CA14ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5230686 0.76 CA1 (0.53) CA1MMP2CA14ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105392777-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2020-09-22 CN disclosed
EP-3013796-B9 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEMICAL LTD (KR) 2020-07-01 EP disclosed
EP-3628661-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEM, LTD. (KR) 2020-04-01 EP disclosed
US-10221138-B2 Biaryl derivatives as GPR120 agonists LG CHEM, LTD. (KR) 2019-03-05 US disclosed
US-20160168096-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2016-06-16 US disclosed
EP-3013796-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG Life Sciences Ltd. (KR) 2016-05-04 EP disclosed
WO-2014209034-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2014-12-31 WO disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
WO-2010042489-A2 AMINOQUINOLINE DERIVED HEAT SHOCK PROTEIN 90 INHIBITORS, METHODS OF PREPARING SAME, AND METHODS FOR THEIR USE EMORY UNIVERSITY (US) 2010-04-15 WO disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
CN-1694870-A Acetyl 2-hydroxy-1, 3-diaminoalkanes PHARMACIA & UPJOHN CO LLC (US) 2005-11-09 CN disclosed
EP-1228042-A2 TETRAHYDROQUINOLINE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2002-08-07 EP disclosed
EP-1177175-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-02-06 EP disclosed
WO-2001012606-A2 TETRAHYDROQUINOLINE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 2001-02-22 WO disclosed
WO-2000068198-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-16 WO disclosed
US-6127382-A AN ANTIPROLIFERATIVE AGENT FOR TREATING SKIN-RELATED DISEASES, AN ANTITUMOR AGENT TREATING CANCER, AN ANTIINFLAMMATORY AGENT TREATING PULMONARY FIBROSIS, ILEITIS, COLITIS AND KROHN'S DISEASE ALLERGAN SALES, INC. (US) 2000-10-03 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 (3 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-20160168096-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS GPR119, GLP1R, GIPR CA1 4785/4885MMP2 3119/4885CA14 4842/4885
US-10221138-B2 Biaryl derivatives as GPR120 agonists GPR119, GLP1R, GIPR CA1 4785/4885MMP2 3119/4885CA14 4842/4885
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P CA1 3634/4885MMP2 1173/4885CA14 4778/4885

“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.