SCHEMBL2268878

SCHEMBL2268878

[C-]#[N+]c1cccc(C(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA7 P43166 1/20 0.46
XDH P47989 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL7566750 0.81 SLC7A5 (0.48) TSHRLOXL2CYP4F2CYP4A11ALDH1A1
SCHEMBL29956510 0.81 CA1 (0.52) TSHRPOLBALDH1A1MAPTHPGD
SCHEMBL34953 0.80 TSHR (0.70) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL22513703 0.79 LOXL2 (0.49) TSHRLOXL2CYP4F2CYP4A11RAB9A
Potassium SCHEMBL30190417 0.78 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL8054504 0.78 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
Ammonia Solution, Strong SCHEMBL28556515 0.78 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL10941453 0.78 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
Lithium SCHEMBL29634258 0.78 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL9943503 0.78 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20170119786-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2017-05-04 US disclosed
US-9624173-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2017-04-18 US disclosed
US-20170002011-A1 BENZENE SULFONAMIDES AS CCR9 INHIBITORS NORGINE B.V. (NL) 2017-01-05 US disclosed
WO-2016073545-A1 PHENYLOXADIAZOLE BENZOIC ACIDS CONCERT PHARMACEUTICALS, INC. (US) 2016-05-12 WO disclosed
US-20160102091-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2016-04-14 US disclosed
US-20150259292-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2015-09-17 US disclosed
US-20140322355-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-10-30 US disclosed
US-8871790-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2014-10-28 US disclosed
US-8420824-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI (FR) 2013-04-16 US disclosed
US-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-7989439-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2011-08-02 US disclosed
EP-1901748-B1 ANGIOGENESIS INHIBITORS ONCALIS AG (CH) 2010-09-08 EP disclosed
EP-1765351-B9 PROTEIN KINASE INHIBITORS ONCALIS AG (CH) 2010-03-24 EP disclosed
US-20100022544-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2009-11-26 US disclosed
US-20090069323-A1 11beta-hsdi inhibitors EVOTEC AG (DE) 2009-03-12 US disclosed
EP-1765351-B1 PROTEIN KINASE INHIBITORS ONCALIS AG (CH) 2009-03-04 EP disclosed
US-20070149535-A1 Protein kinase inhibitors ONCALIS AG (CH) 2007-06-28 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 (11 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-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 TSHR 1151/4885LOXL2 2355/4885CYP4F2 241/4885
US-20150259292-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 TSHR 3857/4885LOXL2 1250/4885CYP4F2 167/4885
US-20070149535-A1 Protein kinase inhibitors FLT1, ERBB2, ERBB3 TSHR 968/4885LOXL2 1779/4885CYP4F2 1641/4885
US-20100022544-A1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF QDPR, TPMT, PTGIS TSHR 1981/4885LOXL2 3149/4885CYP4F2 52/4885
US-20140322355-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 TSHR 3615/4885LOXL2 1158/4885CYP4F2 180/4885
US-20170119786-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD TSHR 3590/4885LOXL2 894/4885CYP4F2 219/4885
US-20090069323-A1 11beta-hsdi inhibitors HSD3B1, HSD3B2, HSD11B1 TSHR 1363/4885LOXL2 2990/4885CYP4F2 69/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 TSHR 1296/4885LOXL2 2279/4885CYP4F2 236/4885
US-20170002011-A1 BENZENE SULFONAMIDES AS CCR9 INHIBITORS CCR9, CCR1, CCR4 TSHR 3042/4885LOXL2 2458/4885CYP4F2 4009/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 TSHR 1151/4885LOXL2 2355/4885CYP4F2 241/4885
US-20160102091-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 TSHR 3615/4885LOXL2 1158/4885CYP4F2 180/4885

“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.