SCHEMBL3520209

SCHEMBL3520209

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.45
CPB2 Q96IY4 2/20 0.45
CPB1 P15086 1/20 0.45
CPA3 P15088 1/20 0.45
FOLH1 Q04609 1/20 0.42
KMO O15229 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKCZ Q05513 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
FDFT1 P37268 1/20 0.33

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
SCHEMBL3520214 1.00 CPA1 (0.45) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL4501945 0.86 KMT2A (0.36) PPARGPPARAMEN1KMT2AL3MBTL1
SCHEMBL4501949 0.86 KMT2A (0.36) PPARGPPARAMEN1KMT2AL3MBTL1
SCHEMBL3520174 0.85 CPA1 (0.44) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL3520168 0.85 CPA1 (0.44) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL4463461 0.80 CPA1 (0.50) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL4463457 0.80 CPA1 (0.50) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL3520496 0.79 CPB2 (0.49) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL3520494 0.79 CPB2 (0.49) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL4478582 0.76 CPA1 (0.45) CPA1CPB2CPB1CPA3FOLH1

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 5 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
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (3 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CPA1 707/4885CPB2 2626/4885CPB1 2592/4885
US-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CPA1 1052/4885CPB2 3140/4885CPB1 3147/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CPA1 1041/4885CPB2 3077/4885CPB1 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.