SCHEMBL6495271

SCHEMBL6495271

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
SMO Q99835 1/20 0.33
GAA P10253 4/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MGAM O43451 2/20 0.32
KCNQ2 O43526 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPK14 Q16539 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31

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
SCHEMBL6495276 1.00 ALOX15 (0.34) ALOX15KMT2AMEN1HTTSMO
SCHEMBL6495272 0.82 ALOX15 (0.34) ALOX15KMT2AMEN1HTTALDH1A1
SCHEMBL6495090 0.81 MEN1 (0.38) ALOX15KMT2AMEN1HTTGAA
SCHEMBL6505067 0.75 ALDH1A1 (0.45) KMT2AMEN1HTTGAAALDH1A1
SCHEMBL6496201 0.75 POLB (0.54) KMT2AMEN1HTTGAAALDH1A1
SCHEMBL6502530 0.74 KMT2A (0.43) KMT2AMEN1SMOGAAALDH1A1
SCHEMBL6494226 0.74 SMO (0.41) KMT2AMEN1SMOGAAALDH1A1
SCHEMBL6501118 0.74 MEN1 (0.43) KMT2AMEN1HTTSMOGAA
SCHEMBL6503948 0.73 ROCK2 (0.40) ALOX15KMT2AMEN1HTTSMO
SCHEMBL6503078 0.73 ROCK2 (0.40) ALOX15KMT2AMEN1HTTSMO

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 1/4885KMT2A 2042/4885MEN1 4793/4885

“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.