SCHEMBL963189

SCHEMBL963189

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.36
MAPK9 P45984 4/20 0.36
MAPK10 P53779 3/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
PIM1 P11309 3/20 0.33
MCHR1 Q99705 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
CLK2 P49760 1/20 0.33
MAP4K2 Q12851 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MST1R Q04912 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
SCHEMBL962365 0.92 CDK2 (0.37) MAPK8MAPK9MAPK10PIM1MCHR1
SCHEMBL964603 0.87 SMN1; SMN2 (0.35) HTR2AHTR2CPTGDR2LMNAALDH1A1
SCHEMBL4554130 0.86 MAPK8 (0.40) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL964487 0.85 HTR2A (0.38) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL4570493 0.85 PHGDH (0.36) MAPK8MAPK9MAPK10PTGDR2KMT2A
SCHEMBL961483 0.84 HTR2A (0.37) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL966768 0.84 MAPK8 (0.36) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL4554768 0.84 MAPK8 (0.33) MAPK8MAPK9MAPK10PIM1MCHR1
SCHEMBL27772695 0.83 HDAC1 (0.38) LMNAALDH1A1KMT2ATP53
SCHEMBL962959 0.83 HPGD (0.32) LMNAHTTKMT2A

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 5 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-2009084614-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-09 WO 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 MAPK8 2053/4885MAPK9 2724/4885MAPK10 1851/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MAPK8 2186/4885MAPK9 2489/4885MAPK10 936/4885

“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.