SCHEMBL5008319

SCHEMBL5008319

[NH]S(=O)(=O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GPR3 P46089 2/20 0.38
HTR2A P28223 1/20 0.38
KMT2A Q03164 3/20 0.38
NCOR2 Q9Y618 2/20 0.38
MEN1 O00255 2/20 0.38
CDC25B P30305 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
POLB P06746 2/20 0.36
S100A4 P26447 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL10425774 0.76 CA1 (0.50) CA1CA2GPR3HTR2AKMT2A
SCHEMBL17308141 0.76 GPR3 (0.43) CA1CA2GPR3HTR2AKMT2A
SCHEMBL29945031 0.76 NCOR2 (0.42) CA1CA2GPR3HTR2AKMT2A
SCHEMBL4327573 0.76 CA1 (0.41) CA1CA2GPR3HTR2AKMT2A
SCHEMBL2319486 0.76 NCOR2 (0.42) CA1CA2GPR3HTR2AKMT2A
SCHEMBL13857648 0.71 GPR3 (0.40) CA1CA2GPR3HTR2AKMT2A
SCHEMBL19042320 0.70 GPR3 (0.46) CA1CA2GPR3HTR2AKMT2A
SCHEMBL20968147 0.70 GPR3 (0.46) CA1CA2GPR3HTR2AKMT2A
SCHEMBL221399 0.66 GPR3 (0.46) GPR3HTR2AKMT2ANCOR2MEN1
SCHEMBL6903531 0.66 GPR3 (0.46) CA1CA2GPR3HTR2AKMT2A

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 2 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 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 CA1 1635/4885CA2 551/4885GPR3 1091/4885

“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.