SCHEMBL2858930

SCHEMBL2858930

O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)OCc1ccccc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
PTPN1 P18031 4/20 0.48
PPARA Q07869 2/20 0.48
IDO1 P14902 1/20 0.48
MDM4 O15151 1/20 0.46
TP53 P04637 1/20 0.46
TYR P14679 1/20 0.46
TACR1 P25103 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
SCHEMBL2858929 1.00 HDAC1 (0.49) HDAC1HDAC2PTPN1PPARAIDO1
SCHEMBL29398876 0.92 HDAC1 (0.51) HDAC1HDAC2PTPN1IDO1MDM4
SCHEMBL31028497 0.92 HDAC1 (0.51) HDAC1HDAC2PTPN1IDO1MDM4
SCHEMBL5887231 0.90 MDM2 (0.50) HDAC1HDAC2PTPN1IDO1MDM4
SCHEMBL5887455 0.90 MDM2 (0.50) HDAC1HDAC2PTPN1IDO1MDM4
SCHEMBL7314631 0.90 IDO1 (0.50) HDAC1HDAC2PTPN1IDO1MDM4
SCHEMBL5887452 0.90 MDM2 (0.50) HDAC1HDAC2PTPN1IDO1MDM4
SCHEMBL5887238 0.90 MDM2 (0.50) HDAC1HDAC2PTPN1IDO1MDM4
SCHEMBL119296 0.89 MDM4 (0.54) PPARAMDM4TP53
SCHEMBL2307496 0.89 MDM4 (0.54) PPARAMDM4TP53

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 HDAC1 1726/4885HDAC2 2051/4885PTPN1 2033/4885

“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.