SCHEMBL2779546

SCHEMBL2779546

O=C(/C=C/c1ccccc1O)Nc1ccccc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.72
TRPM8 Q7Z2W7 4/20 0.72
TRPM2 O94759 1/20 0.62
LTB4R Q15722 1/20 0.62
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 2/20 0.59
APEX1 P27695 2/20 0.59
POLB P06746 1/20 0.59
RECQL P46063 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MMP1 P03956 2/20 0.57
MMP2 P08253 2/20 0.57
MMP9 P14780 2/20 0.57
NFKB1 P19838 3/20 0.54

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
SCHEMBL2779548 1.00 TRPA1 (0.72) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL8635715 0.89 TRPA1 (0.78) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL8635718 0.89 TRPA1 (0.78) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL9973841 0.89 CHRNA7 (0.60) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL14338418 0.89 TRPA1 (0.58) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL9973832 0.89 TRPA1 (0.65) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL9973840 0.87 CHRNA7 (0.58) TRPA1TRPM8TRPM2LTB4RMAPT
SCHEMBL2780018 0.85 TRPA1 (0.70) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL2780021 0.85 TRPA1 (0.70) TRPA1TRPM8TRPM2LTB4RMEN1
SCHEMBL2780237 0.84 TRPA1 (0.71) 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 44 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
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-20230131993-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE OR AN ANALOGUE THEREOF WITH IMPROVED STABILITY SYMRISE AG (DE) 2023-04-27 US disclosed
US-20230129036-A1 AVENANTHRAMIDE COMPOSITIONS WITH IMPROVED SOLUBILITY COMPRISING 4-HYDROXYPHENONE SYMRISE AG (DE) 2023-04-27 US disclosed
US-20230129036-A1 AVENANTHRAMIDE COMPOSITIONS WITH IMPROVED SOLUBILITY COMPRISING 4-HYDROXYPHENONE SYMRISE AG (DE) 2023-04-27 US disclosed
US-20230131993-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE OR AN ANALOGUE THEREOF WITH IMPROVED STABILITY SYMRISE AG (DE) 2023-04-27 US disclosed
US-20230118467-A1 COSMETIC OR PHARMACEUTICAL USE OF AVENANTHRAMIDE L SYMRISE AG (DE) 2023-04-20 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-20080008660-A1 Antimicrobially active compounds for treating bad breath SYMRISE GMBH & CO. KG (DE) 2008-01-10 US disclosed
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY LIMITED (AU) 2008-01-10 US disclosed
US-20080008660-A1 Antimicrobially active compounds for treating bad breath SYMRISE GMBH & CO. KG (DE) 2008-01-10 US disclosed
WO-2007062957-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING SYMRISE GMBH & CO. KG (DE) 2007-06-07 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 (11 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-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-20230129036-A1 AVENANTHRAMIDE COMPOSITIONS WITH IMPROVED SOLUBILITY COMPRISING 4-HYDROXYPHENONE HPD, CYP4A22, PAH TRPA1 1286/4885TRPM8 3127/4885TRPM2 2181/4885
US-20090197957-A1 Methods and compositions for the treatment of pain OPRL1, OPRK1, ACHE TRPA1 72/4885TRPM8 946/4885TRPM2 760/4885
US-20230131993-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE OR AN ANALOGUE THEREOF WITH IMPROVED STABILITY OAT, PIGS, HLA-A TRPA1 837/4885TRPM8 551/4885TRPM2 565/4885
US-20080008660-A1 Antimicrobially active compounds for treating bad breath CAT, LPO, GPX1 TRPA1 1224/4885TRPM8 2976/4885TRPM2 2742/4885
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-20230118467-A1 COSMETIC OR PHARMACEUTICAL USE OF AVENANTHRAMIDE L TACR1, NPSR1, TACR2 TRPA1 39/4885TRPM8 173/4885TRPM2 114/4885
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.