SCHEMBL968367

SCHEMBL968367

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MCL1 Q07820 3/20 0.34
PLA2G4A P47712 4/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
MAPK8 P45983 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
OXER1 Q8TDS5 1/20 0.31
FBP1 P09467 5/20 0.31

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
SCHEMBL964880 0.91 TP53 (0.37) TP53MCL1PLA2G4APOLBMAPK8
SCHEMBL963060 0.91 TP53 (0.34) TP53MCL1PLA2G4AMAPTPOLB
SCHEMBL4554288 0.89 TP53 (0.38) TP53MCL1PLA2G4APOLBMAPK8
SCHEMBL4554828 0.87 AGTR2 (0.38) MCL1PLA2G4A
SCHEMBL964870 0.87 PPARG (0.38) TP53MCL1PLA2G4APOLBMAPK8
SCHEMBL963812 0.87 TP53 (0.37) TP53MCL1PLA2G4APOLBRAB9A
SCHEMBL963610 0.86 IRAK4 (0.35) TP53MCL1PLA2G4APOLBMAPK8
SCHEMBL963042 0.85 TP53 (0.40) TP53MCL1PLA2G4APOLBMAPK8
SCHEMBL964859 0.85 IRAK4 (0.35) TP53MCL1PLA2G4AMAPK8RAB9A
SCHEMBL4570493 0.84 PHGDH (0.36) TP53MCL1PLA2G4AMAPK8RAB9A

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 2149/4885MCL1 3194/4885PLA2G4A 3024/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TP53 1057/4885MCL1 3693/4885PLA2G4A 1094/4885

“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.