SCHEMBL6494231

SCHEMBL6494231

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NC(=O)N(S)c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
LTB4R Q15722 5/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 2/20 0.34
BLM P54132 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHEK2 O96017 1/20 0.34
JAK2 O60674 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACLY P53396 1/20 0.33
PYGL P06737 1/20 0.33

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
SCHEMBL6501121 0.93 LTB4R (0.37) ALOX15LTB4RLMNAMAPK1HTT
SCHEMBL6503850 0.92 ACLY (0.38) ALOX15LTB4RLMNAMAPK1HTT
SCHEMBL6497603 0.92 LTB4R (0.37) ALOX15LTB4RLMNAMAPK1HTT
SCHEMBL6504814 0.88 ACLY (0.38) ALOX15LMNARAB9AMAPTALDH1A1
SCHEMBL6494226 0.82 SMO (0.41) LTB4RLMNAMAPK1MAPTPOLB
SCHEMBL6493782 0.82 ACLY (0.38) ALOX15LTB4RRAB9ACHEK2ACLY
SCHEMBL6494688 0.80 ALOX15 (0.47) ALOX15LTB4RRAB9AMAPTTP53
SCHEMBL6495423 0.80 ALOX15 (0.35) ALOX15HTTMAPTPOLBBLM
SCHEMBL6501118 0.78 MEN1 (0.43) LTB4RLMNAMAPK1HTTRAB9A
SCHEMBL6497598 0.78 MEN1 (0.42) LTB4RMAPK1RAB9AMAPTPOLB

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 1/4885LTB4R 47/4885LMNA 1070/4885

“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.