SCHEMBL963134

SCHEMBL963134

Cc1nn(C)c(-n2ccc3ccc(C(F)(F)F)cc32)c1/C=C/S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
CDK2 P24941 1/20 0.42
MCL1 Q07820 2/20 0.36
HTR7 P34969 1/20 0.33
S1PR1 P21453 3/20 0.32
MAT2A P31153 1/20 0.32
TDP2 O95551 1/20 0.32
PTGS2 P35354 3/20 0.31
KIF11 P52732 1/20 0.31
PDE10A Q9Y233 3/20 0.31
PDE2A O00408 2/20 0.30
PTGS1 P23219 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
SCHEMBL963139 1.00 CDC7 (0.42) CDC7CDK2MCL1HTR7S1PR1
SCHEMBL964913 0.86 CDC7 (0.43) CDC7CDK2MCL1HTR7S1PR1
SCHEMBL968527 0.85 CDC7 (0.38) CDC7CDK2
SCHEMBL968529 0.85 CDC7 (0.38) CDC7CDK2
SCHEMBL964457 0.84 ALDH1A1 (0.43) CDC7CDK2MCL1
SCHEMBL964456 0.84 ALDH1A1 (0.43) CDC7CDK2MCL1
SCHEMBL964712 0.83 CA2 (0.46)
SCHEMBL964576 0.83 CA2 (0.46)
SCHEMBL963832 0.82 ALDH1A1 (0.34) MCL1PTGS2PDE10APTGS1
SCHEMBL963829 0.82 ALDH1A1 (0.34) MCL1PTGS2PDE10APTGS1

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 2 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
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 2555/4885MCL1 3194/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CDC7 4163/4885CDK2 2985/4885MCL1 3693/4885

“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.