SCHEMBL3520494

SCHEMBL3520494

Cc1cc(C[C@@H](CC(=O)O)C(=O)O)cc(Cl)c1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.49
CPA1 P15085 2/20 0.49
CPB1 P15086 1/20 0.49
CPA3 P15088 1/20 0.49
FOLH1 Q04609 1/20 0.44
KMO O15229 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRE11 P49959 1/20 0.39
HMGB1 P09429 1/20 0.37
CXCL12 P48061 1/20 0.37
FDFT1 P37268 2/20 0.37
LTA4H P09960 2/20 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
SCHEMBL3520496 1.00 CPB2 (0.49) CPB2CPA1CPB1CPA3FOLH1
SCHEMBL4488443 0.86 KMT2A (0.38) CPB2CPA1CPB1CPA3FOLH1
SCHEMBL4488445 0.86 KMT2A (0.38) CPB2CPA1CPB1CPA3FOLH1
SCHEMBL14032612 0.80 MRE11 (0.40) MEN1KMT2AL3MBTL1MRE11HMGB1
SCHEMBL3520209 0.79 CPA1 (0.45) CPB2CPA1CPB1CPA3FOLH1
SCHEMBL3520214 0.79 CPA1 (0.45) CPB2CPA1CPB1CPA3FOLH1
SCHEMBL9972723 0.79 CYP1A2 (0.50) CPB2CPA1CPB1CPA3FOLH1
SCHEMBL3523029 0.79 SIRT5 (0.51) MEN1KMT2A
SCHEMBL3523032 0.79 SIRT5 (0.51) MEN1KMT2A
SCHEMBL26378959 0.79 SIRT5 (0.51) MEN1KMT2A

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 CPB2 3140/4885CPA1 1052/4885CPB1 3147/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CPB2 3077/4885CPA1 1041/4885CPB1 3146/4885

“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.