SCHEMBL5887384

SCHEMBL5887384

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.60
KDM1A O60341 1/20 0.60
TYR P14679 2/20 0.58
CTSL P07711 2/20 0.58
CTSB P07858 2/20 0.58
CTSS P25774 2/20 0.58
CTSK P43235 2/20 0.58
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
CTRB1 P17538 2/20 0.56
ITGB3 P05106 3/20 0.54
ITGA2B P08514 3/20 0.54

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
SCHEMBL5887381 1.00 TACR1 (0.60) TACR1KDM1ATYRCTSLCTSB
SCHEMBL5887286 0.92 CTSL (0.57) TACR1KDM1ATYRCTSLCTSB
SCHEMBL5887289 0.92 CTSL (0.57) TACR1KDM1ATYRCTSLCTSB
SCHEMBL5887508 0.92 ALDH1A1 (0.65) TACR1KDM1ACTSLCTSBCTSS
SCHEMBL5887509 0.92 ALDH1A1 (0.65) TACR1KDM1ACTSLCTSBCTSS
SCHEMBL2975870 0.92 ITGB3 (0.63) TACR1KDM1ACTSLCTSBCTSS
SCHEMBL502349 0.92 ITGB3 (0.63) TACR1KDM1ACTSLCTSBCTSS
SCHEMBL15080871 0.92 TACR1 (0.68) TACR1TYRCTSLCTSBCTSS
SCHEMBL3065366 0.89 CTSL (0.64) TACR1TYRCTSLCTSBCTSS
SCHEMBL30343691 0.89 CTSL (0.64) TACR1TYRCTSLCTSBCTSS

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 2442/4885KDM1A 347/4885TYR 18/4885

“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.