SCHEMBL1003286

SCHEMBL1003286

CCCCOc1cc(N)nn1COCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
DGAT1 O75907 2/20 0.33
CYP19A1 P11511 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2D6 P10635 3/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
CYP3A4 P08684 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL1001920 0.93 DGAT1 (0.34) RAB9AMAPTDGAT1SMN1; SMN2NPC1
SCHEMBL1000829 0.89 DGAT1 (0.34) RAB9AMAPTDGAT1SMN1; SMN2NPC1
SCHEMBL19972103 0.83 DGAT1 (0.35) DGAT1NPC1ALOX5APFEN1
SCHEMBL1000528 0.80 DGAT1 (0.32) DGAT1NPC1ALOX5APFEN1
SCHEMBL31511111 0.77 DGAT1 (0.33) DGAT1NPC1ALOX5APFEN1
SCHEMBL31511113 0.77 DGAT1 (0.33) DGAT1NPC1ALOX5APFEN1
SCHEMBL401891 0.77 DGAT1 (0.34) MAPTDGAT1NPC1ALOX5APFEN1
SCHEMBL24816446 0.74 DGAT1 (0.33) DGAT1NPC1ALOX5APFEN1
SCHEMBL24816444 0.73 NPC1 (0.33) DGAT1NPC1ALOX5APFEN1
SCHEMBL13031074 0.71 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 RAB9A 3688/4885MAPT 4157/4885LMNA 1767/4885

“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.