SCHEMBL4461700

SCHEMBL4461700

Nc1c(Br)cc(C[C@@H](CC(=O)O)C(=O)O)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.45
CPB1 P15086 1/20 0.45
CPA3 P15088 1/20 0.45
CPB2 Q96IY4 1/20 0.45
FOLH1 Q04609 2/20 0.42
ADRB2 P07550 7/20 0.38
MME P08473 4/20 0.36
ALKBH5 Q6P6C2 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
SCHEMBL4478582 1.00 CPA1 (0.45) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL4463457 0.92 CPA1 (0.50) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL4463461 0.92 CPA1 (0.50) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL3308134 0.86 ADRB2 (0.42) FOLH1ADRB2
SCHEMBL3308130 0.86 ADRB2 (0.42) FOLH1ADRB2
SCHEMBL3520174 0.85 CPA1 (0.44) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL3520168 0.85 CPA1 (0.44) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL3517307 0.81 CPA1 (0.47) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL3517309 0.81 CPA1 (0.47) CPA1CPB1CPA3CPB2FOLH1
SCHEMBL3306655 0.77 FOLH1 (0.37) CPA1CPB1CPA3CPB2FOLH1

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 653/4885CPB1 2843/4885CPA3 299/4885

“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.