SCHEMBL1824337

SCHEMBL1824337

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
CTRB1 P17538 2/20 0.50
P2RX7 Q99572 8/20 0.49
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
ABCB1 P08183 1/20 0.47
ATM Q13315 1/20 0.46
PPARG P37231 2/20 0.43
CTSL P07711 1/20 0.43
CTSK P43235 1/20 0.43
BCL2 P10415 1/20 0.42
PPARA Q07869 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
SCHEMBL1825241 0.92 ATM (0.51) SYKCTRB1P2RX7ITGB3ITGA2B
SCHEMBL1823130 0.91 CTRB1 (0.55) SYKCTRB1P2RX7ITGB3ITGA2B
SCHEMBL1825904 0.90 P2RX7 (0.58) SYKCTRB1P2RX7ITGB3ITGA2B
SCHEMBL1823016 0.90 CTRB1 (0.54) SYKCTRB1P2RX7ITGB3ITGA2B
SCHEMBL7360205 0.89 CTRB1 (0.62) SYKCTRB1ITGB3ITGA2BATM
SCHEMBL7360200 0.89 CTRB1 (0.62) SYKCTRB1ITGB3ITGA2BATM
SCHEMBL1824729 0.88 CTRB1 (0.52) SYKCTRB1P2RX7ITGB3ITGA2B
SCHEMBL1825418 0.88 ABCB1 (0.50) ITGB3ITGA2BABCB1ATMPPARG
SCHEMBL1827055 0.87 P2RX7 (0.66) SYKCTRB1P2RX7
SCHEMBL1825873 0.87 CTRB1 (0.51) SYKCTRB1P2RX7ITGB3ITGA2B

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 SYK 1520/4885CTRB1 1126/4885P2RX7 3606/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SYK 1172/4885CTRB1 1288/4885P2RX7 2747/4885

“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.