SCHEMBL5887604

SCHEMBL5887604

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.46
SRC P12931 1/20 0.42
ZAP70 P43403 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ACACB O00763 4/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 3/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
PAM P19021 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 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
SCHEMBL5887606 1.00 TACR1 (0.46) TACR1SRCZAP70ITGB3ITGA2B
SCHEMBL3048691 0.87 TACR1 (0.50) TACR1ACACB
SCHEMBL3048692 0.87 TACR1 (0.50) TACR1ACACB
SCHEMBL2520016 0.87 ATM (0.50) TACR1LMNA
SCHEMBL5887308 0.87 ATM (0.50) TACR1LMNA
SCHEMBL5887794 0.86 ACACB (0.53) TACR1SRCZAP70ITGB3ITGA2B
SCHEMBL2859969 0.86 ACACB (0.53) TACR1SRCZAP70ITGB3ITGA2B
SCHEMBL2859966 0.86 ACACB (0.53) TACR1SRCZAP70ITGB3ITGA2B
SCHEMBL5887793 0.86 ACACB (0.53) TACR1SRCZAP70ITGB3ITGA2B
SCHEMBL5813004 0.85 TACR1 (0.61) TACR1LMNACTSSCTSKPAM

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 2442/4885SRC 2733/4885ZAP70 3694/4885

“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.