SCHEMBL2780697

SCHEMBL2780697

COc1c(C)cccc1C=CC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.70
TRPM8 Q7Z2W7 4/20 0.70
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MAPT P10636 3/20 0.60
ALDH1A1 P00352 5/20 0.57
HPGD P15428 5/20 0.57
KDM4E B2RXH2 4/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
HIF1A Q16665 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
APEX1 P27695 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL2781913 1.00 TRPA1 (0.70) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL2779873 0.88 TRPA1 (0.82) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL2780018 0.88 TRPA1 (0.70) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL2779875 0.88 TRPA1 (0.82) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL2780021 0.88 TRPA1 (0.70) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL16272332 0.87 TRPA1 (0.65) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL2779418 0.87 TRPA1 (0.73) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL2779414 0.87 TRPA1 (0.73) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL2780237 0.86 TRPA1 (0.71) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL2780239 0.86 TRPA1 (0.71) TRPA1TRPM8MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010071865-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS NUON THERAPEUTICS, INC. (US) 2010-06-24 WO 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
EP-1824469-A4 A METHOD OF MODULATING B CELL FUNCTIONING NUON THERAPEUTICS PTY LTD (AU) 2008-07-30 EP 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
EP-1824469-A1 A METHOD OF MODULATING B CELL FUNCTIONING Angiogen Pharmaceuticals Pty. Ltd (AU) 2007-08-29 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
WO-2006053390-A1 A METHOD OF MODULATING B CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY. LTD. (AU) 2006-05-26 WO claimed
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
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 disclosed
WO-2006053390-A1 A METHOD OF MODULATING B CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY. LTD. (AU) 2006-05-26 WO 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 (8 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 1771/4885MEN1 3828/4885
US-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST PTGS2, PTGES2, PTGES TRPA1 406/4885TRPM8 2868/4885MEN1 4678/4885
US-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS XDH, SLC10A1, SLC10A6 TRPA1 4098/4885TRPM8 2370/4885MEN1 1944/4885
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING IFNG, CD4, IDO1 TRPA1 901/4885TRPM8 1509/4885MEN1 3959/4885
US-20090197957-A1 Methods and compositions for the treatment of pain OPRL1, OPRK1, ACHE TRPA1 72/4885TRPM8 946/4885MEN1 3723/4885
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN OPRL1, GAP43, AANAT TRPA1 15/4885TRPM8 353/4885MEN1 3473/4885
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING KYNU, IDO1, IDO2 TRPA1 1754/4885TRPM8 3913/4885MEN1 3204/4885
US-20090312422-A1 METHOD OF MODULATING CELLULAR ACTIVITY AND AGENTS USEFUL FOR SAME NLN, GAP43, CYBB TRPA1 2236/4885TRPM8 1771/4885MEN1 3828/4885

“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.