SCHEMBL2164017

SCHEMBL2164017

C[C@@](O)(Cc1cc(Br)c(O)c(Br)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
HSD17B10 Q99714 4/20 0.46
HIF1A Q16665 4/20 0.46
CYP2C9 P11712 2/20 0.46
PTPN1 P18031 1/20 0.43
CYP3A4 P08684 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
ALOX15 P16050 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
ALOX12 P18054 3/20 0.42
RECQL P46063 2/20 0.42
TTR P02766 1/20 0.42
CASP1 P29466 1/20 0.42
CYP1A2 P05177 4/20 0.36
BLM P54132 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL2164015 1.00 TSHR (0.46) TSHRHSD17B10HIF1ACYP2C9PTPN1
SCHEMBL2165518 0.81 TET2 (0.34) TSHRHSD17B10HIF1ACYP2C9CYP3A4
SCHEMBL2165516 0.81 TET2 (0.34) TSHRHSD17B10HIF1ACYP2C9CYP3A4
SCHEMBL4507779 0.81 ALOX15 (0.50) HSD17B10CYP3A4TDP1ALOX15ALDH1A1
SCHEMBL4507776 0.81 ALOX15 (0.50) HSD17B10CYP3A4TDP1ALOX15ALDH1A1
SCHEMBL2166173 0.78 HPGD (0.41) TSHRHSD17B10CYP2C9CYP3A4TDP1
SCHEMBL2166179 0.78 HPGD (0.41) TSHRHSD17B10CYP2C9CYP3A4TDP1
SCHEMBL2175090 0.74 BLM (0.44) HSD17B10CYP3A4TDP1ALOX15ALDH1A1
SCHEMBL2175094 0.74 BLM (0.44) HSD17B10CYP3A4TDP1ALOX15ALDH1A1
SCHEMBL2165549 0.73 THRB (0.38) TSHRHSD17B10ALOX15KDM4ETHRB

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 TSHR 732/4885HSD17B10 4276/4885HIF1A 2057/4885
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA TSHR 307/4885HSD17B10 3976/4885HIF1A 1515/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA TSHR 732/4885HSD17B10 4276/4885HIF1A 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.