SCHEMBL3520168

SCHEMBL3520168

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.44
CPB2 Q96IY4 3/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
FOLH1 Q04609 1/20 0.41
ADRB2 P07550 6/20 0.39
ADRB1 P08588 1/20 0.39
KMO O15229 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
RAMP1 O60894 1/20 0.37
CALCRL Q16602 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3520174 1.00 CPA1 (0.44) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL4463461 0.90 CPA1 (0.50) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL4463457 0.90 CPA1 (0.50) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL3309680 0.87 ADRB2 (0.43) FOLH1ADRB2ADRB1PPARGPPARA
SCHEMBL3309683 0.87 ADRB2 (0.43) FOLH1ADRB2ADRB1PPARGPPARA
SCHEMBL4478582 0.85 CPA1 (0.45) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL4461700 0.85 CPA1 (0.45) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL3520209 0.85 CPA1 (0.45) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL3520214 0.85 CPA1 (0.45) CPA1CPB2CPB1CPA3FOLH1
SCHEMBL3309663 0.85 ADRB2 (0.39) CPA1CPB2ADRB2ADRB1KMO

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 6 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-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-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-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
CN-1708493-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN 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-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
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CPA1 653/4885CPB2 2859/4885CPB1 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.