SCHEMBL3413003

SCHEMBL3413003

Cc1cc(S(=O)(=O)N2CCCCC2CCC(=O)N(C)CCCC2CCC(Cc3ccccc3)(N3CCCC3)CC2)c(C)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FKBP1A P62942 4/20 0.34
ACLY P53396 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
BDKRB1 P46663 1/20 0.33

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
SCHEMBL3409736 0.96 HCRTR1 (0.36) HCRTR1HCRTR2ACLYOPRM1OPRK1
SCHEMBL3405479 0.92 HCRTR1 (0.37) HCRTR1HCRTR2NPC1FKBP1AACLY
SCHEMBL3410497 0.89 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AFKBP1A
SCHEMBL3406135 0.89 HCRTR1 (0.36) HCRTR1HCRTR2NPC1RAB9AMEN1
SCHEMBL3407386 0.85 HCRTR1 (0.36) HCRTR1HCRTR2RAB9AFKBP1AACLY
SCHEMBL3410534 0.84 HCRTR1 (0.37) HCRTR1HCRTR2ACLYOPRM1OPRK1
SCHEMBL3408516 0.83 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AFKBP1A
SCHEMBL3406849 0.83 OPRM1 (0.39) HCRTR1HCRTR2ACLYOPRM1OPRK1
SCHEMBL3408874 0.81 HCRTR1 (0.38) HCRTR1HCRTR2SMN1; SMN2FKBP1AACLY
SCHEMBL3409667 0.81 HCRTR1 (0.38) HCRTR1HCRTR2ACLYOPRM1OPRK1

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 6 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
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HCRTR1 4142/4885HCRTR2 3980/4885NPC1 2399/4885

“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.