SCHEMBL962365

SCHEMBL962365

Cc1nn(C)c(-n2ccc3ccc(Cl)cc32)c1CCS(N)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.37
CDC7 O00311 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAP3K14 Q99558 1/20 0.37
MAPK8 P45983 4/20 0.34
MAPK9 P45984 3/20 0.34
MAPK10 P53779 2/20 0.34
KMO O15229 2/20 0.34
HTR6 P50406 1/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MCHR1 Q99705 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
PIM1 P11309 2/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
CLK2 P49760 1/20 0.31
MAP4K2 Q12851 1/20 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
SCHEMBL963189 0.92 MAPK8 (0.36) CDK2MAPK8MAPK9MAPK10HTR6
SCHEMBL962358 0.85 CA2 (0.45) ROCK1HTR6LMNAHTTSMN1; SMN2
SCHEMBL5115435 0.85 KMO (0.38) CDK2CDC7ROCK1MAP3K14MAPK8
SCHEMBL962736 0.85 CDC7 (0.40) CDK2CDC7HTR7
SCHEMBL964048 0.83 PHGDH (0.36) LMNASMN1; SMN2
SCHEMBL962959 0.81 HPGD (0.32) LMNAHTTKMT2A
SCHEMBL964603 0.81 SMN1; SMN2 (0.35) LMNAHTTSMN1; SMN2ALDH1A1PTGDR2
SCHEMBL964410 0.80 KMO (0.34) MAPK8MAPK9MAPK10KMOHTR6
SCHEMBL966058 0.80 TP53 (0.38) MAPK8KMOLMNASMN1; SMN2ALDH1A1
SCHEMBL4554438 0.79 MAPK8 (0.35) MAPK8MAPK9MAPK10LMNAHTT

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 CDK2 2555/4885CDC7 2245/4885ROCK1 2974/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CDK2 2985/4885CDC7 4163/4885ROCK1 3736/4885

“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.