SCHEMBL2863115

SCHEMBL2863115

COC(=O)[C@H](Cc1ccc(Cl)cc1)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.59
ATM Q13315 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
CA12 O43570 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PYGL P06737 1/20 0.51
POLB P06746 1/20 0.50
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50

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
SCHEMBL11347234 1.00 NOS2 (0.59) NOS2ATML3MBTL1CA12CA7
SCHEMBL2863112 1.00 NOS2 (0.59) NOS2ATML3MBTL1CA12CA7
Hydrochloric Acid SCHEMBL11347228 0.99 NOS2 (0.58) NOS2ATML3MBTL1CA12CA7
SCHEMBL3959739 0.91 ATM (0.68) ATML3MBTL1CA12CA7CA9
SCHEMBL2375644 0.91 ATM (0.68) ATML3MBTL1CA12CA7CA9
SCHEMBL2375646 0.91 ATM (0.68) ATML3MBTL1CA12CA7CA9
Hydrochloric Acid SCHEMBL17822192 0.90 ATM (0.67) ATML3MBTL1CA12CA7CA9
Hydrochloric Acid SCHEMBL1885086 0.90 ATM (0.67) ATML3MBTL1CA12CA7CA9
Hydrochloric Acid SCHEMBL1885087 0.90 ATM (0.67) ATML3MBTL1CA12CA7CA9
SCHEMBL2860038 0.89 EPHX2 (0.52) NOS2ATML3MBTL1MEN1KMT2A

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 NOS2 421/4885ATM 4004/4885L3MBTL1 211/4885

“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.