Sugi Predict

Sugi Predict / Compounds / SCHEMBL1726210

SCHEMBL1726210

SCHEMBL1726210

C[C@@H](NC(=O)OC(C)(C)C)c1ccc(COS(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CTSK P43235 4/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ CA2 P00918 3/20 0.42
▸ PPARG P37231 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ CTSS P25774 3/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ CACNA1B Q00975 2/20 0.39

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
SCHEMBL1726216 1.00 MAPT (0.43) MAPTATMCTSKPPARACA2
SCHEMBL5150999 0.85 PTPRB (0.46) MAPTATMCTSKPPARACTSS
SCHEMBL1724454 0.81 CTSK (0.48) MAPTATMCTSKPPARACA2
SCHEMBL14831003 0.81 CTSK (0.48) MAPTATMCTSKPPARACA2
SCHEMBL1724453 0.81 CTSK (0.48) MAPTATMCTSKPPARACA2
SCHEMBL24675687 0.81 CA12 (0.46) CTSKCA2CA1CA9
SCHEMBL24674856 0.81 CA12 (0.46) CTSKCA2CA1CA9
SCHEMBL5320185 0.80 PTPRB (0.43) MAPTCTSKPPARACTSSBCL2
SCHEMBL14588996 0.80 ALDH1A1 (0.50) MAPTATMCTSKPPARAPPARG
SCHEMBL14831296 0.80 CTSK (0.47) MAPTATMCTSKPPARACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 — — EP disclosed
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 — — EP disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 — — US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 — — US disclosed
EP-2403854-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2012-01-11 — — EP disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 — — US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 — — US disclosed
WO-2010099938-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2010-09-10 — — WO 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-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 MAPT 4077/4885ATM 2817/4885CTSK 1392/4885

“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.