SCHEMBL6786038

SCHEMBL6786038

O=C(/C=C/c1ccc2cc(F)ccc2c1)Nc1ccc(F)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.61
DHODH Q02127 1/20 0.57
EGFR P00533 2/20 0.55
TRPM2 O94759 4/20 0.55
LTB4R Q15722 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
HIF1A Q16665 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TRPM8 Q7Z2W7 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL6786045 1.00 TRPA1 (0.61) TRPA1DHODHEGFRTRPM2LTB4R
SCHEMBL6786747 0.94 DHODH (0.65) TRPA1DHODHEGFRTRPM2LTB4R
SCHEMBL6786753 0.94 DHODH (0.65) TRPA1DHODHEGFRTRPM2LTB4R
SCHEMBL6783845 0.90 TRPA1 (0.77) TRPA1DHODHEGFRTRPM2LTB4R
SCHEMBL6783841 0.90 TRPA1 (0.77) TRPA1DHODHEGFRTRPM2LTB4R
SCHEMBL28810131 0.84 TRPM2 (0.77) TRPA1EGFRTRPM2LTB4RMEN1
SCHEMBL28810130 0.84 TRPM2 (0.77) TRPA1EGFRTRPM2LTB4RMEN1
SCHEMBL11236200 0.82 MEN1 (0.73) TRPA1MEN1KMT2AALDH1A1TP53
SCHEMBL11236202 0.82 MEN1 (0.73) TRPA1MEN1KMT2AALDH1A1TP53
SCHEMBL6780675 0.80 ALDH1A1 (0.60) TRPA1EGFRTRPM2MEN1KMT2A

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 6 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
EP-1261321-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-12-04 EP 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
WO-2001007020-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-01 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 (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 4750/4885DHODH 1011/4885EGFR 1347/4885

“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.