SCHEMBL2164010

SCHEMBL2164010

CC(c1cc(Br)c(O)c(Br)c1)C(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
FOLH1 Q04609 1/20 0.41
HIF1A Q16665 5/20 0.37
KDM4E B2RXH2 5/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 6/20 0.37
TSHR P16473 5/20 0.37
CYP3A4 P08684 3/20 0.37
HSD17B10 Q99714 5/20 0.37
CYP2C9 P11712 1/20 0.37
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL2165511 0.81 KDM4E (0.36) HIF1AKDM4ELMNATDP1TSHR
SCHEMBL4507771 0.81 BLM (0.44) FOLH1HIF1AKDM4ELMNATDP1
SCHEMBL5964865 0.79 TTR (0.48) TTRFOLH1HIF1AKDM4ELMNA
SCHEMBL2166168 0.77 S1PR1 (0.38) HIF1AKDM4ELMNATDP1TSHR
SCHEMBL9589227 0.74 TTR (0.52) TTRFOLH1HIF1ATDP1TSHR
SCHEMBL2986840 0.73 CYP3A4 (0.48) TTRFOLH1HIF1ATDP1TSHR
SCHEMBL2175085 0.73 CYP1A2 (0.46) KDM4ELMNAALDH1A1POLBCYP1A2
SCHEMBL5911897 0.71 CYP3A4 (0.50) TTRFOLH1HIF1ATDP1TSHR
SCHEMBL5146556 0.71 CYP3A4 (0.50) TTRHIF1AKDM4ETDP1TSHR
SCHEMBL2165249 0.70 KDM4E (0.39) HIF1AKDM4ELMNATDP1TSHR

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 6 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
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-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA TTR 1508/4885FOLH1 2623/4885HIF1A 2057/4885
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA TTR 1254/4885FOLH1 3316/4885HIF1A 1515/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA TTR 1508/4885FOLH1 2623/4885HIF1A 2057/4885

“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.