SCHEMBL1003879

SCHEMBL1003879

CC(C)Oc1ccc(N(C(=O)C(F)(F)F)c2cccc(S(=O)(=O)N3CCCC(OCc4ccccn4)C3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.38
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
PTGDR Q13258 3/20 0.37
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ADRB2 P07550 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
RHOA P61586 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1002029 0.87 CHRM2 (0.42) ALDH1A1
Trifluoroacetic Acid SCHEMBL1003877 0.82 MEN1 (0.46) PTGDRALDH1A1ADRB2RAB9AHSD17B10
SCHEMBL1000491 0.79 MEN1 (0.42) TP53ALDH1A1KDM4E
SCHEMBL1000752 0.78 TP53 (0.38) TP53ALDH1A1CYP4F2CYP4A11KDM4E
SCHEMBL1000773 0.77 TP53 (0.39) TP53KDM4E
SCHEMBL1002016 0.77 MEN1 (0.40) PTGDRALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL28004748 0.75 ALDH1A1 (0.45) TP53ALDH1A1ADRB2RAB9AHSD17B10
SCHEMBL1000615 0.70 HSD11B1 (0.45)
Trifluoroacetic Acid SCHEMBL1002028 0.70 MEN1 (0.48) PTGDRALDH1A1
SCHEMBL1001382 0.70 AKR1C3 (0.39) PTGDRTP53

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 LPL 114/4885LIPC 86/4885LIPG 140/4885

“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.