SCHEMBL6783841

SCHEMBL6783841

O=C(/C=C/c1ccc2cc(F)ccc2c1)Nc1ccccc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.77
TRPM2 O94759 5/20 0.68
LTB4R Q15722 1/20 0.63
TRPM8 Q7Z2W7 5/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 1/20 0.61
ALDH1A1 P00352 2/20 0.61
TP53 P04637 2/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 2/20 0.61
HIF1A Q16665 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 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
SCHEMBL6783845 1.00 TRPA1 (0.77) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL6786045 0.90 TRPA1 (0.61) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL6786038 0.90 TRPA1 (0.61) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL4021693 0.90 TRPM2 (0.69) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL29966683 0.90 TRPM2 (0.69) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL6786753 0.89 DHODH (0.65) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL6786747 0.89 DHODH (0.65) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL2780698 0.87 TRPA1 (1.00) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL2780699 0.87 TRPA1 (1.00) TRPA1TRPM2LTB4RTRPM8MEN1
SCHEMBL6780675 0.87 ALDH1A1 (0.60) TRPA1TRPM2MEN1KMT2ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 US disclosed
CN-1414849-A Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGECHEIM PHARMA KG (DE) 2003-04-30 CN disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 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 (1 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-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 TRPA1 4750/4885TRPM2 4819/4885LTB4R 3433/4885

“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.