SCHEMBL2859966

SCHEMBL2859966

CC(=O)NC(Cc1ccc(Cl)cc1)C(=O)OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.53
TACR1 P25103 3/20 0.48
NOS2 P35228 2/20 0.46
LMNA P02545 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
SRC P12931 1/20 0.42
ZAP70 P43403 1/20 0.42
FPR2 P25090 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL2859969 1.00 ACACB (0.53) ACACBTACR1NOS2LMNAMME
SCHEMBL3048692 0.87 TACR1 (0.50) ACACBTACR1MMEACE
SCHEMBL3048691 0.87 TACR1 (0.50) ACACBTACR1MMEACE
SCHEMBL2856542 0.87 NOS2 (0.58) ACACBTACR1NOS2ALDH1A1
SCHEMBL2856548 0.87 NOS2 (0.58) ACACBTACR1NOS2ALDH1A1
SCHEMBL29469535 0.87 NOS2 (0.58) ACACBTACR1NOS2ALDH1A1
SCHEMBL5887606 0.86 TACR1 (0.46) ACACBTACR1LMNASRCZAP70
SCHEMBL5887604 0.86 TACR1 (0.46) ACACBTACR1LMNASRCZAP70
SCHEMBL5887794 0.86 ACACB (0.53) ACACBTACR1LMNASRCZAP70
SCHEMBL5887793 0.86 ACACB (0.53) ACACBTACR1LMNASRCZAP70

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 ACACB 2960/4885TACR1 2442/4885NOS2 421/4885

“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.