SCHEMBL965033

SCHEMBL965033

CCCCNS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2ccc(C(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.36
S1PR1 P21453 2/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
MET P08581 1/20 0.31
HDAC1 Q13547 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCHR1 Q99705 2/20 0.31
MCL1 Q07820 1/20 0.30
PTGER3 P43115 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
SCHEMBL965035 1.00 PPARG (0.36) PPARGS1PR1CDC7CDK2MET
SCHEMBL963860 0.95 PPARG (0.34) PPARGS1PR1CDC7CDK2MET
SCHEMBL963859 0.95 PPARG (0.34) PPARGS1PR1CDC7CDK2MET
SCHEMBL966874 0.89 HDAC1 (0.33) HDAC1
SCHEMBL966872 0.89 HDAC1 (0.33) HDAC1
SCHEMBL964729 0.88 PPARG (0.47) PPARGCDC7CDK2MCHR1
SCHEMBL964731 0.88 PPARG (0.47) PPARGCDC7CDK2MCHR1
SCHEMBL966906 0.88 MAPT (0.36) PPARGHDAC1MAPT
SCHEMBL966907 0.88 MAPT (0.36) PPARGHDAC1MAPT
SCHEMBL27772660 0.87 PPARG (0.38) PPARGCDC7CDK2MCHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 PPARG 248/4885S1PR1 1036/4885CDC7 2245/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885S1PR1 748/4885CDC7 4163/4885

“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.