SCHEMBL2166889

SCHEMBL2166889

O=C(O)[C@H](O)Cc1ccc(Br)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.61
PTPRC P08575 1/20 0.40
PTPRG P23470 1/20 0.40
PTPRA P18433 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 1/20 0.39
PTGS2 P35354 1/20 0.39
RECQL P46063 1/20 0.39
SLC7A5 Q01650 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LDHA P00338 1/20 0.38

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
SCHEMBL2166894 1.00 KDM6B (0.61) KDM6BPTPRCPTPRGPTPRAKDM4E
SCHEMBL3522487 0.86 KDM6B (0.72) KDM6BKDM4EUSP2EGFRLCK
SCHEMBL3522483 0.86 KDM6B (0.72) KDM6BKDM4EUSP2EGFRLCK
SCHEMBL2164021 0.84 KDM6B (0.56) KDM6BPTPRAKDM4EUSP2EGFR
SCHEMBL18248036 0.84 KDM6B (0.56) KDM6BPTPRAKDM4EUSP2EGFR
SCHEMBL29551982 0.84 KDM6B (0.56) KDM6BPTPRAKDM4EUSP2EGFR
SCHEMBL20586356 0.84 KDM6B (0.56) KDM6BPTPRAKDM4EUSP2EGFR
SCHEMBL2164014 0.84 KDM6B (0.56) KDM6BPTPRAKDM4EUSP2EGFR
SCHEMBL5297391 0.80 SLC7A5 (0.62) PTPRCKDM4EUSP2EGFRLCK
SCHEMBL10891346 0.80 KDM6B (0.67) KDM6BPTPRAPTGS1HTR2APTGS2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985747-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-26 US disclosed
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-16 US disclosed
US-7700598-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-20 US disclosed
US-7696196-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
EP-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 EP disclosed
EP-1732917-B8 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2009-09-09 EP disclosed
EP-1732917-B1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-07-29 EP disclosed
US-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-09 US disclosed
US-20090111797-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-7491717-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-17 US disclosed
US-7479488-B2 Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-20 US disclosed
EP-1732917-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-20 EP disclosed
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US disclosed
US-20050234067-A1 Selected CGRP - antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
WO-2005092880-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 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 (6 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-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDM6B 4577/4885PTPRC 3571/4885PTPRG 2851/4885
US-20050234067-A1 Selected CGRP - antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDM6B 4580/4885PTPRC 3498/4885PTPRG 2818/4885
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDM6B 4577/4885PTPRC 3571/4885PTPRG 2851/4885
US-20090111797-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDM6B 4577/4885PTPRC 3571/4885PTPRG 2851/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDM6B 4577/4885PTPRC 3571/4885PTPRG 2851/4885
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA KDM6B 4577/4885PTPRC 3571/4885PTPRG 2851/4885

“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.