SCHEMBL5010791

SCHEMBL5010791

[NH]S(=O)(=O)c1cccc2c1ccc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
CYP2A6 P11509 1/20 0.46
PAX8 Q06710 1/20 0.45
HTR6 P50406 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HCRTR1 O43613 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL28463 0.88 CA1 (0.63) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL660150 0.82 HPRT1 (0.56) HPRT1CA1CA2CA9ALDH1A1
SCHEMBL11485250 0.82 HPRT1 (0.56) HPRT1CA1CA2CA9ALDH1A1
SCHEMBL31742344 0.81 TTR (0.56) HPRT1CA1CA2CA9ALDH1A1
SCHEMBL30354640 0.81 TTR (0.56) HPRT1CA1CA2CA9ALDH1A1
SCHEMBL11575510 0.81 HPRT1 (0.54) HPRT1CA1CA2CA9ALDH1A1
SCHEMBL3149642 0.81 CA2 (0.78) HPRT1CA1CA2CA9ALDH1A1
SCHEMBL660151 0.81 TTR (0.56) HPRT1CA1CA2CA9ALDH1A1
SCHEMBL19025050 0.81 TTR (0.56) HPRT1CA1CA2CA9ALDH1A1
SCHEMBL28129161 0.79 TTR (0.55) HPRT1CA1CA2CA9ALDH1A1

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 3 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
US-20050159431-A1 Substituted alkyl uracils and thereof BAYER HEALTHCARE AG (DE) 2005-07-21 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-20050159431-A1 Substituted alkyl uracils and thereof UNG, UMPS, TYMP HPRT1 6/4885CA1 4698/4885CA2 4876/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL HPRT1 3092/4885CA1 1635/4885CA2 551/4885

“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.