SCHEMBL10149306

SCHEMBL10149306

Nc1ncnc2c([C@@H]3O[C@H](CNS(=O)(=O)O)[C@@H](O)[C@H]3O)csc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
IMPDH2 P12268 3/20 0.44
IMPDH1 P20839 3/20 0.44
ATG7 O95352 1/20 0.41
CA2 P00918 1/20 0.35

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
SCHEMBL10149434 0.83 HIF1A (0.42) HIF1AIMPDH2IMPDH1ATG7
SCHEMBL3297374 0.83 HIF1A (0.65) HIF1A
SCHEMBL866882 0.82 ATG7 (0.48) HIF1AATG7
SCHEMBL866573 0.82 ATG7 (0.48) HIF1AATG7
SCHEMBL17490198 0.79 HIF1A (0.48) HIF1AIMPDH2IMPDH1
SCHEMBL10149280 0.77 IMPDH2 (0.40) HIF1AIMPDH2IMPDH1ATG7
SCHEMBL27699160 0.72 HIF1A (0.49) HIF1A
SCHEMBL866315 0.69 ATG7 (0.43) ATG7
SCHEMBL867742 0.69 ATG7 (0.43) ATG7
SCHEMBL10854683 0.69 HIF1A (0.49) HIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 HIF1A 2338/4885IMPDH2 2551/4885IMPDH1 1581/4885

“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.