SCHEMBL968309

SCHEMBL968309

CC(C)OCCNS(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
ALDH1A1 P00352 3/20 0.37
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
CA14 Q9ULX7 4/20 0.37
CA5A P35218 3/20 0.37
HPGD P15428 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
PPARA Q07869 1/20 0.35
ENPP1 P22413 2/20 0.34
TSHR P16473 1/20 0.33
IDO1 P14902 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL963402 0.88 CA1 (0.52) CA1CA2ALDH1A1HPGDDUSP3
SCHEMBL5907932 0.80 ALDH1A1 (0.38) ALDH1A1TSHREPHX2
SCHEMBL16448768 0.78 ALDH1A1 (0.38) ALDH1A1HPGDDUSP3PTPN5PTPN11
SCHEMBL12783284 0.78 ALDH1A1 (0.37) ALDH1A1TSHREPHX2
SCHEMBL19824269 0.78 GRIA1 (0.56) ALDH1A1TSHREPHX2
SCHEMBL27182790 0.77 ALDH1A1 (0.40) ALDH1A1HPGDDUSP3PTPN5PTPN11
SCHEMBL24328720 0.75 GRIA1 (0.38) ALDH1A1TSHREPHX2
SCHEMBL2424526 0.75
SCHEMBL1146102 0.75 CA2 (0.52) CA1CA2CA12CA9CA14
SCHEMBL16448770 0.74 EPHX1 (0.47) CA1CA2ALDH1A1TSHRIDO1

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 9 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-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US 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
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO 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 (5 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 CA1 1123/4885CA2 466/4885ALDH1A1 421/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CA1 4432/4885CA2 3200/4885ALDH1A1 821/4885
US-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 CA1 3460/4885CA2 1474/4885ALDH1A1 212/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 CA1 3746/4885CA2 1306/4885ALDH1A1 118/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 CA1 3460/4885CA2 1474/4885ALDH1A1 212/4885

“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.