SCHEMBL2292345

SCHEMBL2292345

CC(C)c1[nH][nH]c(=O)c1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.45
CAPN1 P07384 1/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
TYMP P19971 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
IDH1 O75874 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CALM1 P0DP23 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
SCHEMBL9111655 0.89 TSHR (0.39) DAOCAPN1TSHRHTTTYMP
SCHEMBL4181067 0.86 HPGD (0.45) LMNASMN1; SMN2
SCHEMBL4176572 0.84 ALDH1A1 (0.41) DAOCAPN1TSHRHTTLMNA
SCHEMBL3173218 0.83 DAO (0.34) DAOCAPN1TSHRHTTGAA
SCHEMBL1268469 0.83 MEN1 (0.43) DAOTSHRLMNAMEN1GAA
SCHEMBL4169393 0.81 PPARG (0.43) CAPN1HTTMEN1GAAKMT2A
SCHEMBL4170750 0.80 L3MBTL1 (0.45) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL4170488 0.80 L3MBTL1 (0.43) HTTMEN1GAAKMT2AALDH1A1
SCHEMBL2257130 0.77 DAO (0.49) DAOHTTTYMPLMNAHSD17B10
SCHEMBL6135082 0.77 DAO (0.49) DAOHTTTYMPLMNAHSD17B10

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
EP-1864993-B1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE KISSEI PHARMACEUTICAL (JP) 2012-05-16 EP disclosed
US-8022192-B2 Process for production of glucopyranosyloxypyrazole derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20110201793-A1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
US-20090062518-A1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD, (JP) 2009-03-05 US disclosed
EP-1864993-A1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-12 EP 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-20110201793-A1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE GCGR, UGGT1, GCKR DAO 1503/4885CAPN1 3599/4885TSHR 958/4885
US-20090062518-A1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE GCGR, UGGT1, GCKR DAO 1503/4885CAPN1 3599/4885TSHR 958/4885

“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.