SCHEMBL966840

SCHEMBL966840

CCOC(=O)CNS(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.39
PPID Q08752 2/20 0.38
PPIB P23284 1/20 0.38
PPIA P62937 1/20 0.38
PPIG Q13427 1/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 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
SCHEMBL27347606 0.81 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10856497 0.81 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2012444 0.81 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4674334 0.80 CA12 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL962074 0.80 CA12 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3365530 0.79 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3292956 0.78 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13480885 0.78 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12959650 0.76 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL24876686 0.75 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1

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
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN 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 GAA 76/4885MGAM 146/4885SI 30/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG GAA 1120/4885MGAM 3052/4885SI 1581/4885

“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.