SCHEMBL6495272

SCHEMBL6495272

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNQ2 O43526 1/20 0.32
KDR P35968 2/20 0.31
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6495271 0.82 ALOX15 (0.34) ALOX15MEN1HTTKMT2AKCNQ2
SCHEMBL6495276 0.82 ALOX15 (0.34) ALOX15MEN1HTTKMT2AKCNQ2
SCHEMBL6495096 0.80 ALOX15 (0.35) ALOX15KCNQ2KDR
SCHEMBL6504814 0.75 ACLY (0.38) ALOX15MEN1KMT2AALDH1A1MAPT
SCHEMBL6495090 0.74 MEN1 (0.38) ALOX15MEN1HTTKMT2AALDH1A1
SCHEMBL6501121 0.74 LTB4R (0.37) ALOX15MEN1HTTKMT2ATP53
SCHEMBL6494231 0.74 ALOX15 (0.36) ALOX15HTTTP53ALDH1A1MAPT
SCHEMBL6497603 0.73 LTB4R (0.37) ALOX15MEN1HTTKMT2ATP53
SCHEMBL6503850 0.72 ACLY (0.38) ALOX15HTTTP53MAPT
SCHEMBL6495423 0.70 ALOX15 (0.35) ALOX15HTTKCNQ2KDM4EALDH1A1

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 7 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
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 1/4885MEN1 4793/4885HTT 1863/4885

“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.