SCHEMBL5128989

SCHEMBL5128989

COc1ccc(S(=O)(=O)N2CCCCC2CCOCC(=O)N2CCC(O)(c3ccccn3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
FKBP1A P62942 2/20 0.41
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 2/20 0.41
MMP13 P45452 2/20 0.41
PAX8 Q06710 1/20 0.41
MMP9 P14780 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
HTT P42858 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
SCHEMBL5132321 0.92 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1PKMMMP1
SCHEMBL5122022 0.84 RAB9A (0.50) RAB9ANPC1ALDH1A1PKMFKBP1A
SCHEMBL3828670 0.82 BDKRB1 (0.40) ALDH1A1
SCHEMBL5126170 0.80 ALDH1A1 (0.45) ALDH1A1PKMMMP1MMP3MMP7
SCHEMBL5132569 0.79 RECQL (0.44) ALDH1A1
SCHEMBL2566158 0.79 NPC1 (0.49) RAB9ANPC1ALDH1A1PKMFKBP1A
SCHEMBL5126182 0.79 BDKRB1 (0.46) ALDH1A1HTT
SCHEMBL5126164 0.79 RECQL (0.47) RAB9AALDH1A1
SCHEMBL2569189 0.78 FKBP1A (0.51) RAB9ANPC1ALDH1A1PKMFKBP1A
SCHEMBL5123797 0.78 HSD11B1 (0.44) RAB9AALDH1A1MMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 RAB9A 2479/4885NPC1 1989/4885ALDH1A1 2737/4885

“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.