SCHEMBL5013526

SCHEMBL5013526

NC(=O)c1ccc(N2CCS(=O)(=O)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.51
ADRA1A P35348 2/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
HRH3 Q9Y5N1 8/20 0.49
PARP1 P09874 1/20 0.49
SMO Q99835 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KDM1A O60341 1/20 0.46
WNT3A P56704 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
NNMT P40261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Hydrochloric Acid SCHEMBL5010547 0.98 UBE2T (0.50) UBE2TADRA1AOPRM1OPRK1HRH3
SCHEMBL1938168 0.86 KDM4E (0.59) UBE2TADRA1AHRH3SMOALDH1A1
SCHEMBL27930875 0.84 UBE2T (0.54) UBE2TOPRM1OPRK1HRH3PARP1
SCHEMBL30289763 0.84 UBE2T (0.71) UBE2TOPRM1OPRK1HRH3PARP1
SCHEMBL29475033 0.84 UBE2T (0.71) UBE2TOPRM1OPRK1HRH3PARP1
SCHEMBL4460927 0.83 RAB9A (0.56) UBE2TOPRM1OPRK1HRH3PARP1
SCHEMBL29074197 0.83 UBE2T (0.69) UBE2TOPRM1OPRK1HRH3PARP1
SCHEMBL30415822 0.83 UBE2T (0.69) UBE2TOPRM1OPRK1HRH3PARP1
Hydrochloric Acid SCHEMBL5010433 0.83 UBE2T (0.69) UBE2TOPRM1OPRK1HRH3PARP1
SCHEMBL27739969 0.83 UBE2T (0.69) UBE2TOPRM1OPRK1HRH3PARP1

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
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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 (1 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL UBE2T 4205/4885ADRA1A 1808/4885OPRM1 3415/4885

“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.