SCHEMBL2852771

SCHEMBL2852771

CC(C)OC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
ITGA4 P13612 3/20 0.42
ITGB7 P26010 3/20 0.42
CXCR2 P25025 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PSMB5 P28074 1/20 0.41
ATM Q13315 2/20 0.40
CA2 P00918 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2852769 1.00 CA12 (0.44) CA12CA7CA9CA14ITGA4
SCHEMBL2857462 0.90 CA12 (0.55) CA12CA7CA9CA14ITGA4
SCHEMBL2857461 0.90 CA12 (0.55) CA12CA7CA9CA14ITGA4
SCHEMBL1827972 0.89 CA12 (0.43) CA12CA7CA9CA14ITGA4
SCHEMBL1827970 0.89 CA12 (0.43) CA12CA7CA9CA14ITGA4
SCHEMBL2863719 0.88 CA12 (0.45) CA12CA7CA9CA14ITGA4
SCHEMBL2863723 0.88 CA12 (0.45) CA12CA7CA9CA14ITGA4
SCHEMBL2855588 0.87 ITGA4 (0.57) CA12CA7CA9CA14ITGA4
SCHEMBL2855590 0.87 ITGA4 (0.57) CA12CA7CA9CA14ITGA4
SCHEMBL1826435 0.87 KDM4E (0.46) CA12CA7CA9CA14HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346971-B1 Production method for biarylalanine SUMITOMO CHEMICAL CO (JP) 2010-01-20 EP disclosed
US-7091373-B2 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP 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 (1 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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH CA12 1913/4885CA7 801/4885CA9 1360/4885

“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.