SCHEMBL2853588

SCHEMBL2853588

CC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ACACB O00763 1/20 0.49
LY96 Q9Y6Y9 1/20 0.47
TACR1 P25103 2/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
NOS2 P35228 2/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL2853586 1.00 MAPT (0.51) MAPTNPSR1MEN1KMT2AACACB
SCHEMBL5887698 0.86 CTSS (0.55) MAPTNPSR1ACACBLY96TACR1
SCHEMBL5887857 0.86 LY96 (0.47) MAPTNPSR1MEN1KMT2AACACB
SCHEMBL5887700 0.86 CTSS (0.55) MAPTNPSR1ACACBLY96TACR1
SCHEMBL5887853 0.86 LY96 (0.47) MAPTNPSR1MEN1KMT2AACACB
SCHEMBL15630652 0.86 MAPT (0.60) MAPTNPSR1TACR1POLBTDP1
SCHEMBL13645698 0.86 MAPT (0.60) MAPTNPSR1TACR1POLBTDP1
SCHEMBL29469535 0.85 NOS2 (0.58) NPSR1KMT2AACACBTACR1POLB
SCHEMBL2856542 0.85 NOS2 (0.58) NPSR1KMT2AACACBTACR1POLB
SCHEMBL2856548 0.85 NOS2 (0.58) NPSR1KMT2AACACBTACR1POLB

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 MAPT 4046/4885NPSR1 1799/4885MEN1 443/4885

“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.