SCHEMBL5122022

SCHEMBL5122022

COc1ccc(S(=O)(=O)N2CCCCC2CCOCC(=O)N2CCC(O)(Cc3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
FKBP1A P62942 3/20 0.48
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 2/20 0.42
MMP13 P45452 2/20 0.42
PAX8 Q06710 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL5131956 0.92 FKBP1A (0.47) RAB9ANPC1FKBP1AALDH1A1PKM
SCHEMBL5128422 0.91 ALDH1A1 (0.46) RAB9ANPC1FKBP1AALDH1A1PKM
SCHEMBL2569189 0.85 FKBP1A (0.51) RAB9ANPC1FKBP1AALDH1A1PKM
SCHEMBL5128989 0.84 RAB9A (0.46) RAB9ANPC1FKBP1AALDH1A1PKM
SCHEMBL5125464 0.82 PKLR (0.47) FKBP1AALDH1A1PKMPAX8
SCHEMBL5132136 0.81 CYP46A1 (0.42) RAB9ANPC1FKBP1A
SCHEMBL493175 0.81 RAB9A (0.58) RAB9ANPC1FKBP1AALDH1A1MMP1
SCHEMBL2566158 0.81 NPC1 (0.49) RAB9ANPC1FKBP1AALDH1A1PKM
SCHEMBL5132117 0.81 CYP46A1 (0.44) RAB9ANPC1FKBP1AALDH1A1
SCHEMBL5125427 0.80 CYP46A1 (0.42) RAB9A

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 1989/4885FKBP1A 1510/4885

“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.