SCHEMBL3522892

SCHEMBL3522892

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.35
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GPR35 Q9HC97 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
ESRRA P11474 1/20 0.32
LCK P06239 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
NR1I2 O75469 1/20 0.32
HMGCR P04035 1/20 0.32
PTGS2 P35354 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31

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
SCHEMBL3311082 0.84 NPFFR1 (0.43) APPRECQLMEN1MAPTKMT2A
SCHEMBL3518789 0.82 RECQL (0.37) RECQLALDH1A1MEN1MAPTKMT2A
SCHEMBL3310234 0.82 RECQL (0.37) APPRECQLMEN1MAPTKMT2A
SCHEMBL3314098 0.78 MAPT (0.40) APPRECQLMAPT
SCHEMBL3520847 0.72 MAPT (0.42) RECQLALDH1A1MAPT
SCHEMBL3959782 0.71 RECQL (0.46) RECQLALDH1A1MEN1MAPTKMT2A
SCHEMBL3959783 0.71 RECQL (0.46) RECQLALDH1A1MEN1MAPTKMT2A
SCHEMBL23905507 0.70 APP (0.47) APPRECQLALDH1A1GPR35MAPT
SCHEMBL3517749 0.69 ERN1 (0.40) ALDH1A1
SCHEMBL1915837 0.68 RECQL (0.69) RECQLMEN1MAPTKMT2ANR1I2

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 7 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-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (4 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA APP 188/4885RECQL 756/4885ALDH1A1 1218/4885
US-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA APP 240/4885RECQL 395/4885ALDH1A1 2177/4885
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA APP 247/4885RECQL 435/4885ALDH1A1 1872/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA APP 247/4885RECQL 435/4885ALDH1A1 1872/4885

“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.