SCHEMBL966910

SCHEMBL966910

COc1ccc(CN2C(=O)[C@@H](C(C)C)NS2(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.44
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP3 P42574 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL7328442 0.83 ALDH1A1 (0.51) CMA1GAAALDH1A1MAPTMEN1
SCHEMBL3293571 0.82 CMA1 (0.47) CMA1GSK3AGSK3BGAAALDH1A1
SCHEMBL3300002 0.82 CMA1 (0.47) CMA1GSK3AGSK3BGAAALDH1A1
SCHEMBL14687631 0.74 CMA1 (0.55) CMA1GSK3AGSK3BALDH1A1MAPT
SCHEMBL21262113 0.71 GAA (0.51) CMA1GSK3AGSK3BGAAALDH1A1
SCHEMBL963383 0.70 MEN1 (0.49) CMA1GSK3AGSK3BGAAALDH1A1
SCHEMBL19785001 0.67 CMA1 (0.49) CMA1GSK3AGSK3BGAAALDH1A1
SCHEMBL13296363 0.66 CMA1 (0.51) CMA1GSK3AGSK3BGAAALDH1A1
SCHEMBL19784994 0.66 GRM2 (0.44) CMA1GSK3AGSK3BGAAALDH1A1
SCHEMBL1438921 0.65 CMA1 (0.46) CMA1GSK3AGSK3BGAAALDH1A1

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 CMA1 2658/4885GSK3A 1622/4885GSK3B 1395/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CMA1 4774/4885GSK3A 2109/4885GSK3B 2221/4885

“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.