SCHEMBL3517987

SCHEMBL3517987

CC(=O)N[C@H](Cc1cc(C)c(O)c(Cl)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TACR1 P25103 2/20 0.44
MRE11 P49959 1/20 0.44
CA2 P00918 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 1/20 0.41
ITGB1 P05556 4/20 0.40
ITGA4 P13612 3/20 0.40
FPR2 P25090 1/20 0.40
ITGA2 P17301 1/20 0.40
ITGB7 P26010 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA5 P08648 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39

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 1.00 LMNA (0.46) LMNATACR1MRE11CA2L3MBTL1
SCHEMBL5144531 0.91 LMNA (0.50) LMNATACR1CA2ITGB3ITGA2B
SCHEMBL5144526 0.91 LMNA (0.50) LMNATACR1CA2ITGB3ITGA2B
SCHEMBL4492058 0.88 MRE11 (0.43) MRE11CA2L3MBTL1ITGB3ITGA2B
SCHEMBL4492053 0.86 TACR1 (0.51) TACR1MRE11
SCHEMBL3519892 0.86 TACR1 (0.51) TACR1MRE11
SCHEMBL4490755 0.86 MRE11 (0.43) MRE11CA2L3MBTL1ITGB3ITGB1
SCHEMBL4800632 0.85 LMNA (0.45) LMNATACR1CA2L3MBTL1ITGB3
SCHEMBL4800648 0.85 LMNA (0.45) LMNATACR1CA2L3MBTL1ITGB3
SCHEMBL15109934 0.82 ACE (0.53) CA2ITGB3ITGA2BITGB1ITGA4

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-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7696209-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 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 (2 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-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA LMNA 954/4885TACR1 51/4885MRE11 2196/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA LMNA 1017/4885TACR1 51/4885MRE11 2106/4885

“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.