SCHEMBL968529

SCHEMBL968529

Cc1nn(C)c(-n2ccc3ccc(Cl)cc32)c1C=CS(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAP3K14 Q99558 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
NR2F2 P24468 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIK3CD O00329 1/20 0.33
KMO O15229 2/20 0.32
MAPK8 P45983 3/20 0.31
MAPK9 P45984 3/20 0.31
MAPK10 P53779 2/20 0.31
PTPN1 P18031 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30
MCHR1 Q99705 1/20 0.30
HTR6 P50406 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
SCHEMBL968527 1.00 CDC7 (0.38) CDC7CDK2ROCK1MAP3K14SMN1; SMN2
SCHEMBL964785 0.91 SMN1; SMN2 (0.36) SMN1; SMN2MAPTNR2F2HTTCYP1A2
SCHEMBL964782 0.91 SMN1; SMN2 (0.36) SMN1; SMN2MAPTNR2F2HTTCYP1A2
SCHEMBL963139 0.85 CDC7 (0.42) CDC7CDK2
SCHEMBL964712 0.85 CA2 (0.46) ROCK1MAPTHTR6
SCHEMBL964576 0.85 CA2 (0.46) ROCK1MAPTHTR6
SCHEMBL963134 0.85 CDC7 (0.42) CDC7CDK2
SCHEMBL965606 0.84 SMN1; SMN2 (0.45) CDC7CDK2ROCK1MAP3K14SMN1; SMN2
SCHEMBL963495 0.83 L3MBTL1 (0.50) CDC7CDK2ROCK1MAP3K14SMN1; SMN2
SCHEMBL963497 0.83 L3MBTL1 (0.50) CDC7CDK2ROCK1MAP3K14SMN1; SMN2

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