SCHEMBL3525792

SCHEMBL3525792

Nc1c(Cl)cc(C(=O)O)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.52
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
GSK3B P49841 1/20 0.46
TSHR P16473 1/20 0.45
TPMT P51580 3/20 0.45
PLAU P00749 1/20 0.43
SRD5A2 P31213 1/20 0.40
HSD11B1 P28845 3/20 0.40
HCAR1 Q9BXC0 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL285092 0.85 TTR (0.62) TTRCA1CA2CA9MAPT
SCHEMBL865991 0.85 TTR (0.62) TTRCA1CA2CA9MAPT
Hydrochloric Acid SCHEMBL11330913 0.83 TTR (0.60) TTRCA1CA2CA9MAPT
Hydrochloric Acid SCHEMBL11627207 0.83 TTR (0.60) TTRCA1CA2CA9MAPT
SCHEMBL8431166 0.82 CA1 (0.47) CA1CA2CA9MAPTGAA
SCHEMBL5629846 0.80 TTR (0.52) TTRCA1CA2CA9TSHR
SCHEMBL28782898 0.79 CA1 (0.44) CA1CA2CA9MAPTGAA
SCHEMBL15796379 0.79 TTR (0.56) TTRCA1CA2CA9MAPT
SCHEMBL1759305 0.79 TTR (0.56) TTRCA1CA2CA9MAPT
SCHEMBL1759318 0.79 TTR (0.56) TTRCA1CA2CA9MAPT

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 8 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
CN-101146799-A Cgrp-antagonists, process for their preparation as well as their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2008-03-19 CN disclosed
EP-1863799-A1 CGRP-ANTAGONISTS, PROCESS FOR THEIR PREPARATION AS WELL AS THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-12-12 EP 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
WO-2006100009-A1 CGRP ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 WO 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 TTR 1076/4885CA1 2066/4885CA2 1028/4885
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA TTR 1254/4885CA1 1729/4885CA2 972/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA TTR 1254/4885CA1 1729/4885CA2 972/4885

“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.