SCHEMBL5887793

SCHEMBL5887793

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.53
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
TACR1 P25103 3/20 0.46
CYP1A2 P05177 1/20 0.45
SRC P12931 1/20 0.42
ZAP70 P43403 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
LMNA P02545 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
SCHEMBL5887794 1.00 ACACB (0.53) ACACBHDAC1HDAC6TACR1CYP1A2
SCHEMBL3048692 0.87 TACR1 (0.50) ACACBTACR1
SCHEMBL3048691 0.87 TACR1 (0.50) ACACBTACR1
SCHEMBL5887330 0.87 HDAC1 (0.65) ACACBHDAC1HDAC6TACR1CYP1A2
SCHEMBL502911 0.87 HDAC1 (0.65) ACACBHDAC1HDAC6TACR1CYP1A2
SCHEMBL5887604 0.86 TACR1 (0.46) ACACBTACR1CYP1A2SRCZAP70
SCHEMBL5887606 0.86 TACR1 (0.46) ACACBTACR1CYP1A2SRCZAP70
SCHEMBL2859966 0.86 ACACB (0.53) ACACBTACR1SRCZAP70ITGB3
SCHEMBL2859969 0.86 ACACB (0.53) ACACBTACR1SRCZAP70ITGB3
SCHEMBL5813004 0.85 TACR1 (0.61) TACR1CTSSCTSKLMNA

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 ACACB 2960/4885HDAC1 1726/4885HDAC6 1968/4885

“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.