SCHEMBL2777285

SCHEMBL2777285

O=C(C=Cc1cccc(F)c1)Nc1ccccc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 3/20 0.76
TRPA1 O75762 7/20 0.74
LTB4R Q15722 1/20 0.64
TRPM8 Q7Z2W7 3/20 0.62
MMP1 P03956 5/20 0.61
MMP2 P08253 5/20 0.61
MMP9 P14780 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
CYP3A4 P08684 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 2/20 0.61
TP53 P04637 2/20 0.61
HPGD P15428 2/20 0.61
HIF1A Q16665 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61

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
SCHEMBL2777283 1.00 TRPM2 (0.76) TRPM2TRPA1LTB4RTRPM8MMP1
SCHEMBL8641486 0.88 SMN1; SMN2 (0.73) TRPM2TRPA1MMP1MMP2MMP9
SCHEMBL8641494 0.88 SMN1; SMN2 (0.73) TRPM2TRPA1MMP1MMP2MMP9
SCHEMBL2779276 0.86 MMP1 (0.75) TRPM2TRPA1LTB4RTRPM8MMP1
SCHEMBL2779279 0.86 MMP1 (0.75) TRPM2TRPA1LTB4RTRPM8MMP1
SCHEMBL6783841 0.86 TRPA1 (0.77) TRPM2TRPA1LTB4RTRPM8MMP1
SCHEMBL6783845 0.86 TRPA1 (0.77) TRPM2TRPA1LTB4RTRPM8MMP1
SCHEMBL294402 0.86 TRPM2 (0.83) TRPM2TRPA1LTB4RTRPM8MMP1
SCHEMBL294403 0.86 TRPM2 (0.83) TRPM2TRPA1LTB4RTRPM8MMP1
SCHEMBL8064171 0.85 GAA (0.59) TRPM2TRPA1MMP1MMP2MMP9

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 45 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
EP-2649992-A1 NEW PHARMACEUTIC USE OF BENZOIC AICD DERIVATIVES Li, Xianliang (CN) 2013-10-16 EP claimed
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
EP-1885351-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Angiogen Pharmaceuticals Pty. Ltd (AU) 2008-02-13 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-2006122353-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ANGIOGEN PHARMACEUTICALS PTY. LTD. (AU) 2006-11-23 WO 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

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 TRPM2 883/4885TRPA1 2236/4885LTB4R 114/4885
US-20140072584-A1 NOVEL PHARMACEUTICAL USE OF BENZOIC ACID DERIVATIVES NFATC1, GABRA5, GABRA6 TRPM2 839/4885TRPA1 353/4885LTB4R 665/4885
US-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS XDH, SLC10A1, SLC10A6 TRPM2 1975/4885TRPA1 4098/4885LTB4R 2069/4885
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING IFNG, CD4, IDO1 TRPM2 949/4885TRPA1 901/4885LTB4R 57/4885
US-20090197957-A1 Methods and compositions for the treatment of pain OPRL1, OPRK1, ACHE TRPM2 760/4885TRPA1 72/4885LTB4R 10/4885
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN OPRL1, GAP43, AANAT TRPM2 227/4885TRPA1 15/4885LTB4R 212/4885
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING KYNU, IDO1, IDO2 TRPM2 2273/4885TRPA1 1754/4885LTB4R 136/4885
US-20090312422-A1 METHOD OF MODULATING CELLULAR ACTIVITY AND AGENTS USEFUL FOR SAME NLN, GAP43, CYBB TRPM2 883/4885TRPA1 2236/4885LTB4R 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.