SCHEMBL1825873

SCHEMBL1825873

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
PPARG P37231 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
PPARA Q07869 1/20 0.43
CTSL P07711 3/20 0.43
CTSK P43235 3/20 0.43
P2RX7 Q99572 1/20 0.42
SYK P43405 1/20 0.42
ATM Q13315 1/20 0.42
CTSS P25774 2/20 0.42
CASP3 P42574 1/20 0.41
ELANE P08246 1/20 0.41
CTSB P07858 1/20 0.41

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 0.92 CTRB1 (0.55) CTRB1ITGB3ITGA2BPPARGCA1
SCHEMBL1823016 0.91 CTRB1 (0.54) CTRB1ITGB3ITGA2BPPARGCA1
SCHEMBL1823002 0.90 P2RX7 (0.51) CTRB1ITGB3ITGA2BP2RX7
SCHEMBL1824729 0.89 CTRB1 (0.52) CTRB1ITGB3ITGA2BPPARGPPARA
SCHEMBL1824337 0.87 SYK (0.53) CTRB1ITGB3ITGA2BPPARGPPARA
SCHEMBL1824921 0.87 P2RX7 (0.58) CTRB1P2RX7
SCHEMBL1826417 0.85 CA1 (0.48) CA1CA2ACHECTSLATM
SCHEMBL1828085 0.85 CTSL (0.51) ITGB3ITGA2BCTSLCTSKP2RX7
SCHEMBL1828087 0.85 CTSL (0.51) ITGB3ITGA2BCTSLCTSKP2RX7
SCHEMBL3573362 0.84 PPARG (0.45) PPARGCA1CA2ACHEPPARA

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 1126/4885ITGB3 2686/4885ITGA2B 2709/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CTRB1 1288/4885ITGB3 4493/4885ITGA2B 4364/4885

“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.