SCHEMBL5887159

SCHEMBL5887159

CCOC(=O)C(Cc1ccc(I)cc1)NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.53
TP53 P04637 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ACACB O00763 3/20 0.42
LMNA P02545 1/20 0.42
ALB P02768 3/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
PAM P19021 1/20 0.42
SRC P12931 1/20 0.41
ZAP70 P43403 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
SCHEMBL5887162 1.00 TACR1 (0.53) TACR1TP53ITGB3ITGA2BACACB
SCHEMBL25669503 0.88 TACR1 (0.59) TACR1TP53ITGB3ITGA2BACACB
SCHEMBL5887308 0.88 ATM (0.50) TACR1LMNA
SCHEMBL2520016 0.88 ATM (0.50) TACR1LMNA
SCHEMBL12453492 0.88 TACR1 (0.59) TACR1TP53ITGB3ITGA2BACACB
Acetyl Tyrosine Ethyl Ester SCHEMBL14370511 0.87 TACR1 (0.58) TACR1
Acetyl Tyrosine Ethyl Ester SCHEMBL468858 0.87 TACR1 (0.58) TACR1
Acetyl Tyrosine Ethyl Ester SCHEMBL468756 0.87 TACR1 (0.58) TACR1
Acetyl Tyrosine Ethyl Ester SCHEMBL25257912 0.85 TACR1 (0.56) TACR1CTSSCTSK
SCHEMBL5887222 0.85 TACR1 (0.53) TACR1TP53ITGB3ITGA2BACACB

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 2442/4885TP53 4249/4885ITGB3 4101/4885

“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.