SCHEMBL2855147

SCHEMBL2855147

CCOC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.48
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
KDM4E B2RXH2 1/20 0.42
KDM4A O75164 1/20 0.42
CXCR2 P25025 1/20 0.42
ACACB O00763 5/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
CTRB1 P17538 1/20 0.40
TP53 P04637 1/20 0.40
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL2855146 1.00 TACR1 (0.48) TACR1ITGB3ITGA2BKDM4EKDM4A
SCHEMBL2854764 0.90 ALDH1A1 (0.46) TACR1ITGB3ITGA2BCXCR2GAA
SCHEMBL2854766 0.90 ALDH1A1 (0.46) TACR1ITGB3ITGA2BCXCR2GAA
SCHEMBL2858269 0.87 TACR1 (0.60) TACR1ITGB3ITGA2BKDM4ECTRB1
SCHEMBL2858271 0.87 TACR1 (0.60) TACR1ITGB3ITGA2BKDM4ECTRB1
SCHEMBL2863819 0.87 KDM4E (0.43) TACR1ITGB3ITGA2BKDM4EKDM4A
SCHEMBL2864352 0.87 CXCR2 (0.44) TACR1ITGB3ITGA2BKDM4EKDM4A
SCHEMBL2864354 0.87 CXCR2 (0.44) TACR1ITGB3ITGA2BKDM4EKDM4A
SCHEMBL2863821 0.87 KDM4E (0.43) TACR1ITGB3ITGA2BKDM4EKDM4A
SCHEMBL1827446 0.86 TACR1 (0.48) TACR1ITGB3ITGA2BACACBGAA

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 TACR1 2442/4885ITGB3 4101/4885ITGA2B 4475/4885

“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.