SCHEMBL2164197

SCHEMBL2164197

CCC(O)(Cc1ccc(Br)c(Br)c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.37
PTPRG P23470 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
EGFR P00533 1/20 0.36
FYN P06241 1/20 0.36
GAA P10253 1/20 0.36
APEX1 P27695 1/20 0.36
ADRA1A P35348 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
SCHEMBL2164203 1.00 PTPRC (0.37) PTPRCPTPRGALDH1A1CYP1A2MAPT
SCHEMBL3877281 0.79 CYP1A2 (0.42) PTPRCPTPRGALDH1A1CYP1A2MAPT
SCHEMBL2163764 0.77 FDPS (0.51) PTPRGALDH1A1KMT2ACYP3A4HPGD
SCHEMBL2163768 0.77 FDPS (0.51) PTPRGALDH1A1KMT2ACYP3A4HPGD
SCHEMBL9724009 0.76 FDPS (0.46) ALDH1A1CYP1A2MAPTKMT2AKDM4E
SCHEMBL5343038 0.76 BLM (0.56) ALDH1A1KMT2AMEN1BLMLMNA
SCHEMBL7908766 0.75 SMN1; SMN2 (0.52) ALDH1A1CYP1A2KMT2AKDM4ECYP3A4
SCHEMBL687447 0.75 SMN1; SMN2 (0.52) ALDH1A1CYP1A2KMT2AKDM4ECYP3A4
SCHEMBL7908936 0.75 SMN1; SMN2 (0.52) ALDH1A1CYP1A2KMT2AKDM4ECYP3A4
SCHEMBL8740577 0.75 KDM4E (0.45) ALDH1A1KMT2AKDM4EPOLBHPGD

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 4 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PTPRC 3571/4885PTPRG 2851/4885ALDH1A1 1335/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PTPRC 3571/4885PTPRG 2851/4885ALDH1A1 1335/4885

“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.