SCHEMBL6706444

SCHEMBL6706444

Cn1nc(SCc2cc(C(F)(F)F)ccc2C(=O)O)n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.39
CYP2C19 P33261 1/20 0.39
SORT1 Q99523 3/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
FKBP1A P62942 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL6707271 0.88 CFTR (0.45) KDM4EMEN1KMT2APTGDR2
SCHEMBL5182788 0.82 ALDH1A1 (0.44) KDM4EALDH1A1HPGDCYP2C19PKM
SCHEMBL6709030 0.80 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL5184256 0.72 ALDH1A1 (0.43) KDM4EALDH1A1HPGDCYP2C19PKM
SCHEMBL421582 0.71 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL5183868 0.70 ALDH1A1 (0.45) KDM4EALDH1A1HPGDCYP2C19MEN1
SCHEMBL5419988 0.70 PPARD (0.41) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL6706450 0.69 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL6847004 0.68 HPD (0.46) KDM4EALDH1A1HPGDCYP2C19PKM
SCHEMBL9995051 0.68 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10USP2

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
US-20040162326-A1 Substituted aryl ketones MULLER KLAUS-HELMUT (DE) 2004-08-19 US disclosed
US-6727206-B2 USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
US-20030228983-A1 Substituted aryl ketones MULLER KLAUS-HELMUT (DE) 2003-12-11 US disclosed
US-6610631-B1 2-(2-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-sulphanyl) -4-trifluoromethyl-benzoyl)-1,3-cyclohexanedione used as pre-/postemergences herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-08-26 US disclosed
EP-1222177-A1 SUBSTITUTED ARYL KETONES Bayer Aktiengesellschaft (DE) 2002-07-17 EP disclosed
WO-2001023367-A1 SUBSTITUTED ARYL KETONES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 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 (2 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-20040162326-A1 Substituted aryl ketones CYP1A1, CYP1B1, CYP2E1 KDM4E 805/4885ALDH1A1 26/4885HPGD 4186/4885
US-20030228983-A1 Substituted aryl ketones CYP1A1, CYP1B1, CYP2E1 KDM4E 805/4885ALDH1A1 26/4885HPGD 4186/4885

“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.