SCHEMBL1001382

SCHEMBL1001382

CC(C)Oc1ccc(N(C(=O)C(F)(F)F)c2cccc(S(=O)(=O)N3CCc4[nH]ncc4C3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 16/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
AKR1C1 Q04828 1/20 0.35
TP53 P04637 1/20 0.34
PTGDR Q13258 1/20 0.34
AKR1C4 P17516 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
Trifluoroacetic Acid SCHEMBL1001381 0.80 MEN1 (0.47) AKR1C3
SCHEMBL1002016 0.75 MEN1 (0.40) PTGDR
SCHEMBL1000491 0.74 MEN1 (0.42) TP53
SCHEMBL1000773 0.71 TP53 (0.39) TP53
SCHEMBL1000615 0.71 HSD11B1 (0.45)
SCHEMBL1002029 0.71 CHRM2 (0.42)
SCHEMBL1000752 0.70 TP53 (0.38) TP53
SCHEMBL1003879 0.70 LPL (0.38) TP53PTGDR
SCHEMBL15916992 0.59 ALOX5AP (0.52) AKR1C3ALOX5APFEN1
SCHEMBL5651380 0.57 AKR1C3 (0.54) AKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280001-B1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD KK (JP) 2014-10-15 EP disclosed
US-8420823-B2 Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD K.K. (JP) 2013-04-16 US disclosed
EP-2280001-A1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT Banyu Pharmaceutical Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 US 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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 AKR1C3 240/4885ALOX5AP 210/4885FEN1 3149/4885

“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.