SCHEMBL5887474

SCHEMBL5887474

CC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.69
POLB P06746 1/20 0.53
ACE P12821 1/20 0.51
MBTPS1 Q14703 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
PAM P19021 1/20 0.50
MAPT P10636 1/20 0.49
S1PR1 P21453 1/20 0.49
FPR2 P25090 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
KDM1A O60341 1/20 0.48

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
SCHEMBL5887473 1.00 TACR1 (0.69) TACR1POLBACEMBTPS1CTSS
SCHEMBL30621980 0.92 TACR1 (0.80) TACR1POLBACEMBTPS1CTSS
SCHEMBL8710942 0.89 TACR1 (0.72) TACR1POLBACEMBTPS1CTSS
SCHEMBL8710945 0.89 TACR1 (0.72) TACR1POLBACEMBTPS1CTSS
SCHEMBL5887384 0.88 TACR1 (0.60) TACR1CTSSCTSKALDH1A1ALOX15
SCHEMBL5887381 0.88 TACR1 (0.60) TACR1CTSSCTSKALDH1A1ALOX15
SCHEMBL2853641 0.87 TACR1 (0.69) TACR1POLBACEMBTPS1CTSS
SCHEMBL2853645 0.87 TACR1 (0.69) TACR1POLBACEMBTPS1CTSS
SCHEMBL5887863 0.87 TACR1 (0.69) TACR1POLBACEMBTPS1CTSS
SCHEMBL5887859 0.87 TACR1 (0.69) TACR1POLBACEMBTPS1CTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2442/4885POLB 3282/4885ACE 1926/4885

“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.