SCHEMBL2855310

SCHEMBL2855310

O=C(OCc1ccccc1)[C@H](Cc1ccc(Cl)cc1)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.54
ITGB7 P26010 1/20 0.54
GPR34 Q9UPC5 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
TACR1 P25103 2/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
S1PR4 O95977 1/20 0.47
PPARA Q07869 2/20 0.46
ACE P12821 1/20 0.46
NOS2 P35228 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL2855306 1.00 ITGA4 (0.54) ITGA4ITGB7GPR34TRPM8TACR1
SCHEMBL20394533 0.92 ITGA4 (0.60) ITGA4ITGB7TRPM8TACR1MAPT
SCHEMBL4169003 0.92 ITGA4 (0.60) ITGA4ITGB7TRPM8TACR1MAPT
SCHEMBL2860040 0.88 EPHX2 (0.52) ITGA4ITGB7MAPTNOS2MEN1
SCHEMBL2860038 0.88 EPHX2 (0.52) ITGA4ITGB7MAPTNOS2MEN1
SCHEMBL11347234 0.88 NOS2 (0.59) ITGA4ITGB7TRPM8POLBNOS2
SCHEMBL2863115 0.88 NOS2 (0.59) ITGA4ITGB7TRPM8POLBNOS2
SCHEMBL2863112 0.88 NOS2 (0.59) ITGA4ITGB7TRPM8POLBNOS2
Hydrochloric Acid SCHEMBL11347228 0.86 NOS2 (0.58) ITGA4ITGB7TRPM8POLBNOS2
SCHEMBL5887603 0.86 ITGA4 (0.54) ITGA4ITGB7TRPM8TACR1MAPT

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 ITGA4 4068/4885ITGB7 4304/4885GPR34 3730/4885

“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.