SCHEMBL3408435

SCHEMBL3408435

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(CCc3ccccc3)(N(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
FKBP1A P62942 3/20 0.47
MMP1 P03956 3/20 0.42
MMP13 P45452 3/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP9 P14780 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP2 P08253 1/20 0.41
POLB P06746 1/20 0.41
BDKRB1 P46663 1/20 0.41

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
SCHEMBL3413278 0.86 RAB9A (0.43) RAB9ANPC1FKBP1AMMP1MMP13
SCHEMBL493720 0.81 RAB9A (0.46) RAB9ANPC1FKBP1AMMP1MMP13
SCHEMBL4124177 0.79 RAB9A (0.50) RAB9ANPC1FKBP1AMMP1MMP13
SCHEMBL493738 0.78 RAB9A (0.43) RAB9ANPC1MMP1MMP13MEN1
SCHEMBL4119477 0.78 BDKRB1 (0.47) MMP1MMP13MMP3MMP7MEN1
SCHEMBL3408443 0.77 BDKRB1 (0.43) FKBP1ABDKRB1
SCHEMBL5131956 0.76 FKBP1A (0.47) RAB9ANPC1FKBP1AMMP1MMP13
SCHEMBL4133018 0.76 MMP1 (0.56) RAB9ANPC1FKBP1AMMP1MMP13
SCHEMBL493436 0.76 RAB9A (0.45) RAB9ANPC1FKBP1AMMP1MMP13
SCHEMBL492883 0.75 ALDH1A1 (0.46) RAB9ANPC1MMP1MMP13MMP3

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
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US 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 RAB9A 2485/4885NPC1 2399/4885FKBP1A 891/4885

“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.