SCHEMBL3406699

SCHEMBL3406699

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)NC2CCC(c3ccccc3)(N3CCCCC3)CC2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.40
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38
AVPR1A P37288 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
SCHEMBL4132968 0.91 BDKRB1 (0.50) BDKRB1
SCHEMBL3412602 0.90 BDKRB1 (0.51) BDKRB1
SCHEMBL3406387 0.84 ALDH1A1 (0.37) BDKRB1GAASMN1; SMN2
SCHEMBL3410668 0.83 BDKRB1 (0.49) BDKRB1
SCHEMBL493412 0.82 BDKRB1 (0.42) BDKRB1GAASMN1; SMN2PKMAVPR1A
SCHEMBL3409950 0.82 BDKRB1 (0.40) BDKRB1AVPR1A
SCHEMBL493310 0.81 BDKRB1 (0.42) BDKRB1AVPR1A
SCHEMBL493414 0.80 BDKRB1 (0.41) BDKRB1GAASMN1; SMN2PKMAVPR1A
SCHEMBL3412648 0.79 BDKRB1 (0.38) BDKRB1GAASMN1; SMN2
SCHEMBL3406128 0.79 BDKRB1 (0.49) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP claimed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US claimed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO claimed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 3589/4885GAA 621/4885SMN1; SMN2 824/4885

“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.