SCHEMBL1825512

SCHEMBL1825512

CS(=O)(=O)Oc1ccc(C[C@H](NCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
PPARG P37231 4/20 0.49
TRPM8 Q7Z2W7 1/20 0.46
PPARA Q07869 4/20 0.46
TACR1 P25103 1/20 0.45
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
POLB P06746 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
LTA4H P09960 1/20 0.43
LAP3 P28838 1/20 0.43
ATM Q13315 1/20 0.43
P2RX7 Q99572 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL1825511 1.00 ITGA4 (0.51) ITGA4ITGB7PPARGTRPM8PPARA
SCHEMBL1822770 0.91 PPARG (0.47) PPARGPPARACA12CA9CA7
SCHEMBL1822769 0.91 PPARG (0.47) PPARGPPARACA12CA9CA7
SCHEMBL1825062 0.91 CA12 (0.54) ITGA4ITGB7PPARGTRPM8CA12
SCHEMBL1825065 0.91 CA12 (0.54) ITGA4ITGB7PPARGTRPM8CA12
SCHEMBL1826245 0.89 ITGA4 (0.49) ITGA4ITGB7PPARGTRPM8PPARA
SCHEMBL1829006 0.87 P2RX7 (0.50) ITGA4ITGB7P2RX7
SCHEMBL2861953 0.87 ITGA4 (0.50) ITGA4ITGB7TRPM8TACR1CA12
SCHEMBL1827972 0.87 CA12 (0.43) ITGA4ITGB7PPARGPPARACA12
SCHEMBL1827970 0.87 CA12 (0.43) ITGA4ITGB7PPARGPPARACA12

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 ITGA4 3149/4885ITGB7 2859/4885PPARG 3864/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ITGA4 4469/4885ITGB7 3850/4885PPARG 2131/4885

“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.