SCHEMBL965423

SCHEMBL965423

CCCCCS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1ccc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER1 P34995 1/20 0.38
PTGER2 P43116 1/20 0.38
AR P10275 1/20 0.38
PPARG P37231 12/20 0.38
SRD5A2 P31213 1/20 0.37
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL965421 1.00 PTGER4 (0.38) PTGER4PTGER3PTGER1PTGER2AR
SCHEMBL965574 0.89 PPARG (0.40) PPARG
SCHEMBL966462 0.86 PPARG (0.40) PPARGMEN1KMT2A
SCHEMBL966464 0.86 PPARG (0.40) PPARGMEN1KMT2A
SCHEMBL962744 0.85 PPARG (0.40) PPARGNPC1RAB9A
SCHEMBL962746 0.85 PPARG (0.40) PPARGNPC1RAB9A
SCHEMBL963158 0.84 PTGER3 (0.47) PTGER3SRD5A2MEN1NPC1RAB9A
SCHEMBL963155 0.84 PTGER3 (0.47) PTGER3SRD5A2MEN1NPC1RAB9A
SCHEMBL963218 0.84 PPARG (0.48) PPARG
SCHEMBL962307 0.84 PPARG (0.41) PPARG

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
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO 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 PTGER4 2323/4885PTGER3 2949/4885PTGER1 2451/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PTGER4 213/4885PTGER3 456/4885PTGER1 233/4885

“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.