Alcohol

Alcohol

SCHEMBL4841776

CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)cc21.CCO

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.92
CYP3A4 P08684 4/20 0.92

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
SCHEMBL4838574 0.96 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL5770897 0.92 MAPK14 (0.90) MAPK14CYP3A4
SCHEMBL13739747 0.92 MAPK14 (0.93) MAPK14CYP3A4
SCHEMBL5769141 0.89 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL5772925 0.88 MAPK14 (0.85) MAPK14CYP3A4
SCHEMBL5773698 0.87 MAPK14 (0.82) MAPK14CYP3A4
SCHEMBL5771483 0.86 MAPK14 (0.91) MAPK14CYP3A4
SCHEMBL4841627 0.86 MAPK14 (0.79) MAPK14CYP3A4
SCHEMBL5771924 0.86 MAPK14 (0.79) MAPK14CYP3A4
SCHEMBL5774408 0.85 MAPK14 (0.77) MAPK14CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 MAPK14 10/4885CYP3A4 2862/4885

“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.