SCHEMBL14736673

SCHEMBL14736673

Cc1ccc(-c2nc(CCOS(C)(=O)=O)c(C)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.48
PPARG P37231 7/20 0.48
PDE10A Q9Y233 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39

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
SCHEMBL13721886 0.89 PPARG (0.48) PPARAPPARGPDE10ATRPM8RARA
SCHEMBL3372159 0.87 MAPT (0.43) PPARAPPARGKDM4ERAB9AALDH1A1
SCHEMBL4892388 0.82 PPARA (0.48) PPARAPPARGPDE10AALDH1A1LMNA
SCHEMBL4884449 0.81 PPARA (0.47) PPARAPPARGPDE10AALDH1A1RARA
SCHEMBL4893501 0.80 PPARA (0.44) PPARAPPARGPDE10AKDM4EMEN1
SCHEMBL14736938 0.79 CDC7 (0.51) PPARAPPARGPDE10AALDH1A1MAPT
SCHEMBL820915 0.78 PPARA (0.49) PPARAPPARGPDE10ATRPM8KDM4E
SCHEMBL14736584 0.75 PPARA (0.46) PPARAPPARGPDE10AKDM4EGAA
SCHEMBL8989264 0.75 TRPM8 (0.47) PPARATRPM8KDM4EGAARAB9A
SCHEMBL4888392 0.74 KDM4E (0.51) KDM4EGAARAB9AMEN1ALDH1A1

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-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A PPARA 1675/4885PPARG 1086/4885PDE10A 1/4885

“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.