SCHEMBL1824729

SCHEMBL1824729

CCOC(=O)CC(Cc1ccc(OS(C)(=O)=O)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.52
PPARG P37231 2/20 0.49
MMEL1 Q495T6 1/20 0.47
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
SYK P43405 1/20 0.45
P2RX7 Q99572 5/20 0.45
CYP3A4 P08684 1/20 0.44
PPARA Q07869 1/20 0.44
ATM Q13315 1/20 0.43
CASP3 P42574 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
SCHEMBL1823130 0.95 CTRB1 (0.55) CTRB1PPARGITGB3ITGA2BSYK
SCHEMBL1823016 0.92 CTRB1 (0.54) CTRB1PPARGITGB3ITGA2BSYK
SCHEMBL1825988 0.90 P2RX7 (0.53) CTRB1MMEL1P2RX7
SCHEMBL1825873 0.89 CTRB1 (0.51) CTRB1PPARGITGB3ITGA2BSYK
SCHEMBL1824337 0.88 SYK (0.53) CTRB1PPARGITGB3ITGA2BSYK
SCHEMBL3571444 0.88 P2RX7 (0.60) CTRB1P2RX7
SCHEMBL1823604 0.86 PPARG (0.48) CTRB1PPARGMMEL1ITGB3ITGA2B
SCHEMBL1825241 0.86 ATM (0.51) CTRB1PPARGITGB3ITGA2BSYK
SCHEMBL1826805 0.84 CA1 (0.47) PPARGSYKATMCASP3
SCHEMBL1825434 0.84 P2RX7 (0.53) PPARGITGB3ITGA2BP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 CTRB1 1126/4885PPARG 3864/4885MMEL1 4172/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CTRB1 1288/4885PPARG 2131/4885MMEL1 4166/4885

“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.