SCHEMBL1725709

SCHEMBL1725709

CC(C)(C)OC(=O)NC1CCCc2cc(COS(C)(=O)=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.42
LMNA P02545 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL1725707 1.00 BDKRB1 (0.42) BDKRB1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL13936478 1.00 BDKRB1 (0.42) BDKRB1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL13131623 0.85 TRPV1 (0.37)
SCHEMBL13936477 0.85 ALDH1A1 (0.44) BDKRB1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL1725050 0.85 ALDH1A1 (0.44) BDKRB1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL1725049 0.85 ALDH1A1 (0.44) BDKRB1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL3537141 0.84 CFD (0.49) BDKRB1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL3537138 0.84 CFD (0.49) BDKRB1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL3532767 0.84 ALDH1A1 (0.43) BDKRB1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL3532766 0.84 ALDH1A1 (0.43) BDKRB1LMNATAS1R3TAS1R1TAS1R2

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 5 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
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
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 BDKRB1 1/4885LMNA 2053/4885TAS1R3 105/4885

“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.