SCHEMBL640463

SCHEMBL640463

COc1cc(C)c(S(=O)(=O)N2CCCCC2CI)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
HTR7 P34969 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
FKBP1A P62942 1/20 0.39
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
PAX8 Q06710 1/20 0.37

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
SCHEMBL2934286 0.91 HTR7 (0.40) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL3313366 0.88 CNR2 (0.43) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL639832 0.88 CNR2 (0.43) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL5088451 0.87 HTR7 (0.43) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL13649888 0.86 PSEN1 (0.53) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL640467 0.85 CASP3 (0.40) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL2307993 0.85 HTR7 (0.43) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL10246104 0.85 NPC1 (0.43) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL4404580 0.84 PSEN1 (0.46) RAB9ANPC1HTR7TMEM97SIGMAR1
SCHEMBL15267624 0.84 CASP3 (0.49) RAB9ANPC1HTR7TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
WO-2010051977-A1 SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS Grünenthal GmbH (DE) 2010-05-14 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-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 RAB9A 211/4885NPC1 3845/4885HTR7 905/4885

“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.