SCHEMBL4463461

SCHEMBL4463461

Nc1c(C(F)(F)F)cc(CC(CC(=O)O)C(=O)O)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.50
CPA3 P15088 2/20 0.50
CPB1 P15086 1/20 0.50
CPB2 Q96IY4 1/20 0.50
FOLH1 Q04609 1/20 0.46
CYP1A2 P05177 1/20 0.36
EPHX2 P34913 3/20 0.35
PPARG P37231 3/20 0.35
MME P08473 1/20 0.35
LTA4H P09960 2/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ANPEP P15144 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
DNPEP Q9ULA0 1/20 0.34

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
SCHEMBL4463457 1.00 CPA1 (0.50) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL4478582 0.92 CPA1 (0.45) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL4461700 0.92 CPA1 (0.45) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL3520174 0.90 CPA1 (0.44) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL3520168 0.90 CPA1 (0.44) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL3306650 0.85 FOLH1 (0.37) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL3306655 0.85 FOLH1 (0.37) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL3520209 0.80 CPA1 (0.45) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL3520214 0.80 CPA1 (0.45) CPA1CPA3CPB1CPB2FOLH1
SCHEMBL4456537 0.80 GRB2 (0.50) CYP1A2

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-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 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-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CPA1 653/4885CPA3 299/4885CPB1 2843/4885

“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.