SCHEMBL17100290

SCHEMBL17100290

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.36
LTA4H P09960 4/20 0.34
ELANE P08246 1/20 0.33
DUT P33316 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SLC2A1 P11166 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL17100236 0.94 LTA4H (0.35) PPARALTA4HELANEDUTL3MBTL1
SCHEMBL18356067 0.81 ELANE (0.39) ELANE
SCHEMBL17100252 0.81 GPR88 (0.39) PPARALTA4HL3MBTL1SLC2A1CHRNB2
SCHEMBL6576482 0.80 HTR1A (0.38) DUTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17100113 0.77 LTA4H (0.39) PPARALTA4HELANEL3MBTL1CHRNB2
SCHEMBL17100201 0.76 PPARA (0.43) PPARALTA4HL3MBTL1
SCHEMBL25369942 0.73 LTA4H (0.50) LTA4HDUTCHRNB2CHRNB4CHRNA3
SCHEMBL4959627 0.73 HTT (0.34) PPARADUTSLC2A1
SCHEMBL1629693 0.71 HRH3 (0.43) PPARALTA4HDUT
SCHEMBL17100137 0.71 PPARA (0.42) PPARALTA4HELANEL3MBTL1

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 3371/4885LTA4H 2821/4885ELANE 4279/4885

“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.