SCHEMBL2860038

SCHEMBL2860038

CCOC(=O)C(Cc1ccc(Cl)cc1)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
PPARG P37231 1/20 0.50
PTGS2 P35354 1/20 0.49
MMP8 P22894 1/20 0.49
ATM Q13315 2/20 0.48
NOS2 P35228 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ELANE P08246 1/20 0.46
HPRT1 P00492 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2860040 1.00 EPHX2 (0.52) EPHX2PPARGPTGS2MMP8ATM
SCHEMBL1931193 0.92 MMP8 (0.56) EPHX2PPARGMMP8ATML3MBTL1
SCHEMBL13915549 0.92 MMP8 (0.56) EPHX2PPARGMMP8ATML3MBTL1
SCHEMBL11347234 0.89 NOS2 (0.59) ATMNOS2L3MBTL1MEN1KMT2A
SCHEMBL28699378 0.89 BACE1 (0.54) EPHX2PPARGMMP8ATML3MBTL1
SCHEMBL2863112 0.89 NOS2 (0.59) ATMNOS2L3MBTL1MEN1KMT2A
SCHEMBL2863115 0.89 NOS2 (0.59) ATMNOS2L3MBTL1MEN1KMT2A
SCHEMBL2855310 0.88 ITGA4 (0.54) NOS2MEN1KMT2AMAPTITGA4
Hydrochloric Acid SCHEMBL11347228 0.88 NOS2 (0.58) ATMNOS2L3MBTL1MEN1KMT2A
SCHEMBL2855306 0.88 ITGA4 (0.54) NOS2MEN1KMT2AMAPTITGA4

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 EPHX2 2275/4885PPARG 4594/4885PTGS2 3868/4885

“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.