SCHEMBL2864352

SCHEMBL2864352

CC(=O)NC(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C(=O)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.44
ACACB O00763 10/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
TACR1 P25103 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KDM4A O75164 1/20 0.41
CXCR1 P25024 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CTRB1 P17538 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
SCHEMBL2864354 1.00 CXCR2 (0.44) CXCR2ACACBITGB3ITGA2BTACR1
SCHEMBL2854764 0.89 ALDH1A1 (0.46) CXCR2ITGB3ITGA2BTACR1ALDH1A1
SCHEMBL2854766 0.89 ALDH1A1 (0.46) CXCR2ITGB3ITGA2BTACR1ALDH1A1
SCHEMBL2855146 0.87 TACR1 (0.48) CXCR2ACACBITGB3ITGA2BTACR1
SCHEMBL2855147 0.87 TACR1 (0.48) CXCR2ACACBITGB3ITGA2BTACR1
SCHEMBL1825715 0.87 ITGB3 (0.43) ACACBITGB3ITGA2BTACR1KDM4E
SCHEMBL1825712 0.87 ITGB3 (0.43) ACACBITGB3ITGA2BTACR1KDM4E
SCHEMBL16469894 0.87 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL2863819 0.86 KDM4E (0.43) CXCR2ACACBITGB3ITGA2BTACR1
SCHEMBL2863821 0.86 KDM4E (0.43) CXCR2ACACBITGB3ITGA2BTACR1

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 CXCR2 1891/4885ACACB 2960/4885ITGB3 4101/4885

“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.