SCHEMBL110044

SCHEMBL110044

Cc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C(=O)O)cc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 3/20 0.69
TRPA1 O75762 5/20 0.58
TRPM8 Q7Z2W7 1/20 0.58
TP53 P04637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 2/20 0.49
HIF1A Q16665 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCC4 O15439 1/20 0.49
HPGDS O60760 1/20 0.49

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
SCHEMBL15396456 0.90 TRPA1 (0.58) TRPM2TRPA1TRPM8TP53MEN1
SCHEMBL111339 0.88 TRPM2 (0.65) TRPM2TRPA1TRPM8TP53MEN1
SCHEMBL14227307 0.88 MEN1 (0.59) TRPM2TRPA1TRPM8TP53MEN1
SCHEMBL2779401 0.84 MEN1 (0.68) TRPM2TRPA1TRPM8TP53MEN1
SCHEMBL110012 0.84 MEN1 (0.68) TRPM2TRPA1TRPM8TP53MEN1
SCHEMBL2846712 0.82 MEN1 (0.73) TRPM2TRPA1TRPM8TP53MEN1
SCHEMBL2846716 0.82 MEN1 (0.73) TRPM2TRPA1TRPM8TP53MEN1
SCHEMBL28809613 0.81 TRPM2 (1.00) TRPM2TRPA1TRPM8TP53MEN1
SCHEMBL28809610 0.81 TRPM2 (1.00) TRPM2TRPA1TRPM8TP53MEN1
SCHEMBL15397006 0.81 MAPT (0.55) TRPM2TRPA1TRPM8TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-9839640-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation OCCURX PTY LTD (AU) 2017-12-12 US disclosed
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 US disclosed
US-20140357628-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-12-04 US disclosed
US-8624056-B2 Halogenated analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2014-01-07 US disclosed
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION FIBROTECH THERAPEUTICS PTY LTD (AU) 2013-11-21 US disclosed
US-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS THE UNIVERSITY OF MELBOURNE (AU) 2012-03-08 US disclosed
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-01-27 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 (7 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-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA TRPM2 2018/4885TRPA1 1798/4885TRPM8 2813/4885
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA TRPM2 2018/4885TRPA1 1798/4885TRPM8 2813/4885
US-20140357628-A1 THERAPEUTIC COMPOUNDS NFATC1, AADAC, NAT1 TRPM2 1034/4885TRPA1 78/4885TRPM8 1047/4885
US-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF TRPM2 4571/4885TRPA1 4148/4885TRPM8 4707/4885
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA TRPM2 2018/4885TRPA1 1798/4885TRPM8 2813/4885
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA TRPM2 2018/4885TRPA1 1798/4885TRPM8 2813/4885
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF TRPM2 4571/4885TRPA1 4148/4885TRPM8 4707/4885

“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.