SCHEMBL3520847

SCHEMBL3520847

COC(=O)/C(=C\c1cc(Cl)c(N)c(Br)c1)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTP4A1 Q93096 1/20 0.32

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
SCHEMBL3966403 0.91 MAPT (0.47) MAPTHPGDGAARECQLALDH1A1
SCHEMBL3965975 0.91 MAPT (0.47) MAPTHPGDGAARECQLALDH1A1
SCHEMBL3965977 0.91 MAPT (0.47) MAPTHPGDGAARECQLALDH1A1
SCHEMBL3314098 0.82 MAPT (0.40) MAPTHPGDRECQL
SCHEMBL3518789 0.76 RECQL (0.37) MAPTHPGDGAARECQLMCL1
SCHEMBL3310234 0.74 RECQL (0.37) MAPTHPGDRECQL
SCHEMBL3522892 0.72 APP (0.35) MAPTRECQLALDH1A1
SCHEMBL7080565 0.72 MAPT (0.35) MAPTHPGDGAARECQLALDH1A1
SCHEMBL7080563 0.72 MAPT (0.35) MAPTHPGDGAARECQLALDH1A1
SCHEMBL4391436 0.70 RECQL (0.49) MAPTRECQLALDH1A1

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-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 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-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MAPT 888/4885HPGD 521/4885GAA 3359/4885
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MAPT 999/4885HPGD 446/4885GAA 3521/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MAPT 999/4885HPGD 446/4885GAA 3521/4885

“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.