SCHEMBL964859

SCHEMBL964859

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCS(=O)(=O)NC(=O)NCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.35
PHGDH O43175 9/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
PLA2G4A P47712 3/20 0.33
MCL1 Q07820 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK8 P45983 1/20 0.33
CDK9 P50750 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MST1R Q04912 1/20 0.33
TYRO3 Q06418 1/20 0.33
NTRK3 Q16288 1/20 0.33
CAMK1D Q8IU85 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL963812 0.92 TP53 (0.37) IRAK4PHGDHTP53RAB9ANPC1
SCHEMBL4554288 0.89 TP53 (0.38) TP53RAB9ANPC1KMT2APLA2G4A
SCHEMBL963610 0.88 IRAK4 (0.35) IRAK4PHGDHTP53RAB9ANPC1
SCHEMBL4570493 0.88 PHGDH (0.36) PHGDHTP53RAB9ANPC1KMT2A
SCHEMBL963060 0.88 TP53 (0.34) IRAK4PHGDHTP53RAB9ANPC1
SCHEMBL964880 0.88 TP53 (0.37) TP53RAB9ANPC1KMT2APLA2G4A
SCHEMBL963748 0.87 FBP1 (0.39) TP53RAB9ANPC1KMT2APLA2G4A
SCHEMBL968367 0.85 TP53 (0.35) IRAK4TP53RAB9ANPC1KMT2A
SCHEMBL4555122 0.84 MAPK8 (0.37) PHGDHTP53RAB9APLA2G4AMCL1
SCHEMBL963042 0.84 TP53 (0.40) TP53PLA2G4AMCL1MAPK8CNR2

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 IRAK4 1821/4885PHGDH 1137/4885TP53 2149/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG IRAK4 873/4885PHGDH 1142/4885TP53 1057/4885

“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.