SCHEMBL1001920

SCHEMBL1001920

CCCOc1cc(N)nn1COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
GAA P10253 1/20 0.31
F2RL1 P55085 1/20 0.30

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
SCHEMBL1003286 0.93 RAB9A (0.35) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1000829 0.90 DGAT1 (0.34) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19972103 0.84 DGAT1 (0.35) DGAT1NPC1ALOX5APFEN1
SCHEMBL1000528 0.81 DGAT1 (0.32) DGAT1NPC1ALOX5APFEN1
SCHEMBL31511111 0.78 DGAT1 (0.33) DGAT1NPC1ALOX5APFEN1F2RL1
SCHEMBL31511113 0.78 DGAT1 (0.33) DGAT1NPC1ALOX5APFEN1F2RL1
SCHEMBL401891 0.78 DGAT1 (0.34) DGAT1NPC1MAPTALOX5APFEN1
SCHEMBL24816446 0.75 DGAT1 (0.33) DGAT1NPC1ALOX5APFEN1
SCHEMBL24816444 0.74 NPC1 (0.33) DGAT1NPC1ALOX5APFEN1
SCHEMBL13031074 0.72 DGAT1 (0.32) DGAT1NPC1

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 DGAT1 108/4885NPC1 899/4885RAB9A 3688/4885

“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.