SCHEMBL2780698

SCHEMBL2780698

O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 1.00
TRPM2 O94759 4/20 0.77
LTB4R Q15722 1/20 0.77
TRPM8 Q7Z2W7 5/20 0.75
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MAPT P10636 2/20 0.70
MMP1 P03956 3/20 0.62
MMP2 P08253 3/20 0.62
MMP9 P14780 3/20 0.62
EGFR P00533 3/20 0.62
PLA2G1B P04054 1/20 0.62
CYSLTR2 Q9NS75 1/20 0.62
CYSLTR1 Q9Y271 1/20 0.62
ALDH1A1 P00352 2/20 0.62
TP53 P04637 2/20 0.62
CYP3A4 P08684 2/20 0.62

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
SCHEMBL2780699 1.00 TRPA1 (1.00) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL294403 0.90 TRPM2 (0.83) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL294402 0.90 TRPM2 (0.83) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL2778922 0.88 TRPM2 (0.81) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL2778920 0.88 TRPM2 (0.81) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL29401064 0.88 TRPM2 (0.81) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL6783841 0.87 TRPA1 (0.77) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL6783845 0.87 TRPA1 (0.77) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL28809051 0.87 TRPM2 (1.00) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL28809046 0.87 TRPM2 (1.00) TRPA1TRPM2LTB4RTRPM8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY LIMITED (AU) 2008-01-10 US 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-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS NUON THERAPEUTICS, INC. (US) 2010-06-24 US disclosed
US-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST NUON THERAPEUTICS, INC. (US) 2010-06-24 US disclosed
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY & MEDICINE (GB) 2010-02-18 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
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 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 2236/4885TRPM2 883/4885LTB4R 114/4885
US-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST PTGS2, PTGES2, PTGES TRPA1 406/4885TRPM2 1228/4885LTB4R 228/4885
US-20140072584-A1 NOVEL PHARMACEUTICAL USE OF BENZOIC ACID DERIVATIVES NFATC1, GABRA5, GABRA6 TRPA1 353/4885TRPM2 839/4885LTB4R 665/4885
US-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS XDH, SLC10A1, SLC10A6 TRPA1 4098/4885TRPM2 1975/4885LTB4R 2069/4885
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING IFNG, CD4, IDO1 TRPA1 901/4885TRPM2 949/4885LTB4R 57/4885
US-20090197957-A1 Methods and compositions for the treatment of pain OPRL1, OPRK1, ACHE TRPA1 72/4885TRPM2 760/4885LTB4R 10/4885
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN OPRL1, GAP43, AANAT TRPA1 15/4885TRPM2 227/4885LTB4R 212/4885
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING KYNU, IDO1, IDO2 TRPA1 1754/4885TRPM2 2273/4885LTB4R 136/4885
US-20090312422-A1 METHOD OF MODULATING CELLULAR ACTIVITY AND AGENTS USEFUL FOR SAME NLN, GAP43, CYBB TRPA1 2236/4885TRPM2 883/4885LTB4R 114/4885

“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.