SCHEMBL17100152

SCHEMBL17100152

COCCCOc1ccc(C(=O)c2ccsc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.44
PLA2G4B P0C869 1/20 0.42
DPP4 P27487 1/20 0.42
LTA4H P09960 2/20 0.41
MAPK1 P28482 1/20 0.41
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40

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
SCHEMBL17100248 0.93 MAPT (0.49) PPARAL3MBTL1MAPTLMNAGAA
SCHEMBL8334341 0.82 ESR1 (0.49) MAPTLTA4HPSMB1PSMB5
SCHEMBL17100201 0.81 PPARA (0.43) PPARAPPARGPPARDL3MBTL1MAPT
SCHEMBL5102460 0.80 RAB9A (0.58) MAPTLMNAGAAMAPK1
SCHEMBL12455672 0.78 MAPT (0.63) PPARAPPARGPPARDL3MBTL1MAPT
SCHEMBL7450424 0.78 KDM4E (0.67) MAPTLTA4HPSMB1PSMB5PSMB2
SCHEMBL17100137 0.78 PPARA (0.42) PPARAPPARGL3MBTL1MAPTLMNA
SCHEMBL8337044 0.77 KDM4E (0.68) MAPTLTA4HPSMB1PSMB5PSMB2
SCHEMBL4543175 0.76 PSMB1 (0.75) LTA4HPSMB1PSMB5PSMB2
SCHEMBL13603801 0.75 KMT2A (0.41) L3MBTL1MAPTLMNAGAAPLA2G4B

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 5 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
US-20150079714-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2015-03-19 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 PPARA 3371/4885PPARG 3478/4885PPARD 2383/4885

“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.