SCHEMBL4492058

SCHEMBL4492058

CCC(=O)NC(Cc1cc(C)c(O)c(Cl)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 1/20 0.43
CA2 P00918 2/20 0.43
TSHR P16473 1/20 0.40
PIN1 Q13526 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB1 P05556 8/20 0.40
ITGA4 P13612 7/20 0.40
ITGB7 P26010 3/20 0.40
ITGA2 P17301 1/20 0.40
FPR2 P25090 1/20 0.40
ITGB3 P05106 2/20 0.38
ITGA2B P08514 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ALB P02768 1/20 0.38
IL2 P60568 1/20 0.38
ACE P12821 1/20 0.37

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
SCHEMBL3517991 0.88 LMNA (0.46) MRE11CA2L3MBTL1ITGB1ITGA4
SCHEMBL3517987 0.88 LMNA (0.46) MRE11CA2L3MBTL1ITGB1ITGA4
SCHEMBL4490755 0.85 MRE11 (0.43) MRE11CA2L3MBTL1ITGB1ITGA4
SCHEMBL15109934 0.81 ACE (0.53) CA2ITGB1ITGA4ITGB7ITGB3
SCHEMBL5144531 0.79 LMNA (0.50) CA2FPR2ITGB3ITGA2B
SCHEMBL5144526 0.79 LMNA (0.50) CA2FPR2ITGB3ITGA2B
SCHEMBL14032612 0.77 MRE11 (0.40) MRE11CA2L3MBTL1
SCHEMBL3520496 0.76 CPB2 (0.49) MRE11L3MBTL1
SCHEMBL3520494 0.76 CPB2 (0.49) MRE11L3MBTL1
SCHEMBL6779095 0.76 CA2 (0.41) MRE11CA2FPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US 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-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MRE11 2106/4885CA2 972/4885TSHR 307/4885

“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.