SCHEMBL6495096

SCHEMBL6495096

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NC(=O)N(S)CCNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
HPN P05981 1/20 0.34
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
RAF1 P04049 1/20 0.33
SUV39H2 Q9H5I1 2/20 0.33
KCNQ2 O43526 1/20 0.33
BCHE P06276 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDR P35968 1/20 0.32
CFTR P13569 1/20 0.32

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
SCHEMBL6494033 0.89 ALOX15 (0.46) ALOX15CKS1BSKP1SKP2BCHE
SCHEMBL6495090 0.85 MEN1 (0.38) ALOX15CCNT1CDK9HPNBCHE
SCHEMBL6933336 0.81 ALOX15 (0.43) ALOX15NPSR1
SCHEMBL6495272 0.80 ALOX15 (0.34) ALOX15KCNQ2KDR
SCHEMBL6504814 0.75 ACLY (0.38) ALOX15NPSR1
SCHEMBL6494231 0.75 ALOX15 (0.36) ALOX15
SCHEMBL6501121 0.75 LTB4R (0.37) ALOX15NPSR1
SCHEMBL6497603 0.74 LTB4R (0.37) ALOX15NPSR1
SCHEMBL6494027 0.73 ALOX15 (0.48) ALOX15BCHENPSR1
SCHEMBL6503850 0.73 ACLY (0.38) ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US claimed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US claimed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP claimed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 US disclosed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 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-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors ALOX15, ALOX5, ALOX12 ALOX15 1/4885CCNT1 1366/4885CDK9 2317/4885

“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.