SCHEMBL1897000

SCHEMBL1897000

O=S(=O)(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PKM P14618 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ FFAR2 O15552 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RORA P35398 1/20 0.40

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
SCHEMBL648803 0.89 FFAR2 (0.54) MLYCDALDH1A1HTTKMT2AFFAR2
SCHEMBL5960294 0.80 ALOX5 (0.46) MLYCDALDH1A1PKMGAA
SCHEMBL3251733 0.72 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10PKMGAA
SCHEMBL3258948 0.70 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10PKMGAA
SCHEMBL2945324 0.70 RORA (0.76) ALDH1A1PKMKMT2AMEN1RORA
SCHEMBL3589382 0.69 FFAR2 (0.45) MLYCDFFAR2
SCHEMBL1897896 0.69 FFAR2 (0.45) MLYCDFFAR2
SCHEMBL5396309 0.69 KMT2A (0.77) ALDH1A1HPGDHSD17B10PKMGAA
SCHEMBL15342920 0.67 CA1 (0.52) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL6623052 0.67 KMT2A (0.64) ALDH1A1PKMKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 — — EP claimed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 — — US claimed
JP-2004527475-A — — 2004-09-09 — — JP claimed
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 — — US claimed
EP-1411929-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-28 — — EP claimed
WO-2002058698-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 — — WO claimed

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-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ME3, ACACA MLYCD 1/4885ALDH1A1 149/4885HPGD 264/4885

“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.

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