SCHEMBL17100201

SCHEMBL17100201

CC(C)(C)[Si](C)(C)OCCCOc1ccc(C(=O)c2ccsc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
GAA P10253 2/20 0.38
PPARD Q03181 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DPP4 P27487 1/20 0.37
PLA2G4B P0C869 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
LTA4H P09960 1/20 0.36
MAPK1 P28482 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL17100137 0.95 PPARA (0.42) PPARAPPARGL3MBTL1GAAKMT2A
SCHEMBL7746323 0.89 PPARA (0.52) PPARAPPARGL3MBTL1GAAPPARD
SCHEMBL17100152 0.81 PPARA (0.45) PPARAPPARGL3MBTL1GAAPPARD
SCHEMBL18355840 0.81 PREP (0.41) PPARAPPARGKMT2ANPSR1LMNA
SCHEMBL17589883 0.80 PPARA (0.60) PPARAPPARGL3MBTL1GAAPPARD
SCHEMBL5854524 0.79 PLA2G4B (0.57) L3MBTL1PLA2G4BMAPK1POLB
SCHEMBL24604970 0.78 NPC1 (0.48) PPARAPPARGL3MBTL1GAAKMT2A
SCHEMBL23877854 0.78 PPARA (0.60) PPARAPPARGL3MBTL1GAAPPARD
SCHEMBL1628037 0.77 MAPT (0.62) L3MBTL1KMT2AMAPT
SCHEMBL17100248 0.77 MAPT (0.49) PPARAL3MBTL1GAAKMT2ANPSR1

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-3119760-A1 PIPERIDINE-DIONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
WO-2015140133-A1 PIPERIDINE-DIONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 WO disclosed
WO-2015142903-A2 METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2015-09-24 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 (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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 PPARA 3371/4885PPARG 3478/4885L3MBTL1 4289/4885

“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.