SCHEMBL3522155

SCHEMBL3522155

Cc1cc(CC(CC(=O)O)C(=O)O)cc(C)c1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.59
CPA3 P15088 2/20 0.59
CPB1 P15086 1/20 0.59
CPB2 Q96IY4 1/20 0.59
FOLH1 Q04609 1/20 0.50
FFAR4 Q5NUL3 2/20 0.46
MME P08473 1/20 0.46
CYP1A2 P05177 1/20 0.45
LTA4H P09960 2/20 0.45
GLRA1 P23415 1/20 0.43
PTPN1 P18031 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43

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
SCHEMBL3522153 1.00 CPA1 (0.59) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL3525198 0.91 CPA1 (0.51) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL3525202 0.91 CPA1 (0.51) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL4490962 0.89 LMNA (0.46) CPA1CPA3CPB1CPB2FFAR4
SCHEMBL4490964 0.89 LMNA (0.46) CPA1CPA3CPB1CPB2FFAR4
SCHEMBL3095738 0.82 PPARG (0.46) FFAR4GLRA1PTPN1PPARGPPARA
SCHEMBL3095728 0.82 PPARG (0.46) FFAR4GLRA1PTPN1PPARGPPARA
SCHEMBL4490443 0.81 SMPD1 (0.43) CPA1CPA3CPB1CPB2FFAR4
SCHEMBL4490445 0.81 SMPD1 (0.43) CPA1CPA3CPB1CPB2FFAR4
SCHEMBL1610643 0.81 PPARG (0.45) FFAR4GLRA1PTPN1PPARGPPARA

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 CPA1 1052/4885CPA3 635/4885CPB1 3147/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CPA1 1041/4885CPA3 686/4885CPB1 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.