SCHEMBL2780408

SCHEMBL2780408

Cc1cccc(/C=C/C(=O)Nc2ccccc2C(=O)O)c1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.66
TRPM8 Q7Z2W7 5/20 0.66
TRPM2 O94759 4/20 0.56
LTB4R Q15722 1/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
CYP3A4 P08684 3/20 0.56
HIF1A Q16665 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
ABCB11 O95342 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
PTGS2 P35354 2/20 0.56
AKR1B10 O60218 1/20 0.56
DHFR P00374 1/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
CHRM1 P11229 1/20 0.56
AKR1B1 P15121 1/20 0.56
PTGS1 P23219 1/20 0.56

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
SCHEMBL2780410 1.00 TRPA1 (0.66) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL2780237 0.91 TRPA1 (0.71) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL2780239 0.91 TRPA1 (0.71) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL2781913 0.85 TRPA1 (0.70) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL2780697 0.85 TRPA1 (0.70) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL8635715 0.84 TRPA1 (0.78) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL8635718 0.84 TRPA1 (0.78) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL16272332 0.82 TRPA1 (0.65) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL2779546 0.81 TRPA1 (0.72) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL2779548 0.81 TRPA1 (0.72) TRPA1TRPM8TRPM2LTB4RMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140072584-A1 NOVEL PHARMACEUTICAL USE OF BENZOIC ACID DERIVATIVES LI, YINGJI (CN) 2014-03-13 US claimed
US-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS NUON THERAPEUTICS, INC. (US) 2010-06-24 US claimed
EP-2173167-A2 TREATMENT OF NEUROPATHIC PAIN Nuon Therapeutics, Inc. (US) 2010-04-14 EP claimed
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY & MEDICINE (GB) 2010-02-18 US claimed
US-20090312422-A1 METHOD OF MODULATING CELLULAR ACTIVITY AND AGENTS USEFUL FOR SAME EBERHARD-KARLS-UNIVERSITAET TUEBINGEN UNIVERSITAETSKLINIKUM 2009-12-17 US claimed
US-20090197957-A1 Methods and compositions for the treatment of pain NUON THERAPEUTICS, INC. 2009-08-06 US claimed
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN NUON THERAPEUTICS INC. 2009-02-12 US claimed
WO-2009008997-A2 TREATMENT OF NEUROPATHIC PAIN NUON THERAPEUTICS, INC. (US) 2009-01-15 WO claimed
US-20080103204-A1 Method of modulating cellular activity and agents useful for same EBERHARD-KARLS-UNIVERSITAT TUBINGEN (DE) 2008-05-01 US claimed
EP-1845967-A4 A METHOD OF MODULATING T CELL FUNCTIONING UNIV LELAND STANFORD JUNIOR (US) 2008-03-05 EP claimed
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY LIMITED (AU) 2008-01-10 US claimed
EP-1845967-A2 A METHOD OF MODULATING T CELL FUNCTIONING The Board of Trustees of Leland Stanford Junior University (US) 2007-10-24 EP claimed
WO-2006076580-A2 A METHOD OF MODULATING T CELL FUNCTIONING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2006-07-20 WO claimed
US-20140072584-A1 NOVEL PHARMACEUTICAL USE OF BENZOIC ACID DERIVATIVES LI, YINGJI (CN) 2014-03-13 US disclosed
EP-2253313-A1 Tranilast as modulator of T cell functioning for use in the treatment of autoimmune diseases The Board Of Trustees Of The University Of the Leland Stanford Junior University (US) 2010-11-24 EP disclosed
US-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST NUON THERAPEUTICS, INC. (US) 2010-06-24 US disclosed
US-7531575-B2 Method of modulating cellular activity and agents useful for same Eberhard-Karls-Universität Tübingin (DE) 2009-05-12 US disclosed
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN NUON THERAPEUTICS INC. 2009-02-12 US disclosed
US-20080103204-A1 Method of modulating cellular activity and agents useful for same EBERHARD-KARLS-UNIVERSITAT TUBINGEN (DE) 2008-05-01 US disclosed
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY LIMITED (AU) 2008-01-10 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 (9 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-20080103204-A1 Method of modulating cellular activity and agents useful for same NLN, GAP43, CYBB TRPA1 2236/4885TRPM8 1771/4885TRPM2 883/4885
US-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST PTGS2, PTGES2, PTGES TRPA1 406/4885TRPM8 2868/4885TRPM2 1228/4885
US-20140072584-A1 NOVEL PHARMACEUTICAL USE OF BENZOIC ACID DERIVATIVES NFATC1, GABRA5, GABRA6 TRPA1 353/4885TRPM8 978/4885TRPM2 839/4885
US-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS XDH, SLC10A1, SLC10A6 TRPA1 4098/4885TRPM8 2370/4885TRPM2 1975/4885
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING IFNG, CD4, IDO1 TRPA1 901/4885TRPM8 1509/4885TRPM2 949/4885
US-20090197957-A1 Methods and compositions for the treatment of pain OPRL1, OPRK1, ACHE TRPA1 72/4885TRPM8 946/4885TRPM2 760/4885
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN OPRL1, GAP43, AANAT TRPA1 15/4885TRPM8 353/4885TRPM2 227/4885
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING KYNU, IDO1, IDO2 TRPA1 1754/4885TRPM8 3913/4885TRPM2 2273/4885
US-20090312422-A1 METHOD OF MODULATING CELLULAR ACTIVITY AND AGENTS USEFUL FOR SAME NLN, GAP43, CYBB TRPA1 2236/4885TRPM8 1771/4885TRPM2 883/4885

“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.