SCHEMBL963300

SCHEMBL963300

CCCCNS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1cc(C)c2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
PTGER3 P43115 2/20 0.33
CNR1 P21554 12/20 0.33
CNR2 P34972 12/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CFTR P13569 1/20 0.31
ELANE P08246 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL963301 1.00 TP53 (0.35) TP53PTGER3CNR1CNR2POLB
SCHEMBL964275 0.92 ELANE (0.32) TP53CNR1CNR2POLBCASP6
SCHEMBL964274 0.92 ELANE (0.32) TP53CNR1CNR2POLBCASP6
SCHEMBL967085 0.88 PPARG (0.38) PTGER3CNR1CNR2CFTR
SCHEMBL967084 0.88 PPARG (0.38) PTGER3CNR1CNR2CFTR
SCHEMBL966262 0.86 CFD (0.33) PTGER3POLBALDH1A1HPGD
SCHEMBL966263 0.86 CFD (0.33) PTGER3POLBALDH1A1HPGD
SCHEMBL961617 0.86 BRAF (0.38) CNR1CNR2ALDH1A1HDAC3HDAC4
SCHEMBL961620 0.86 BRAF (0.38) CNR1CNR2ALDH1A1HDAC3HDAC4
SCHEMBL5116348 0.84 BRAF (0.37) CNR1CNR2HDAC3HDAC4HDAC1

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 TP53 2149/4885PTGER3 2949/4885CNR1 1414/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TP53 1057/4885PTGER3 456/4885CNR1 153/4885

“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.