SCHEMBL2934286

SCHEMBL2934286

COc1cc(C)c(S(=O)(=O)N2CCCCC2C[O])c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
FKBP1A P62942 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL5088451 0.96 HTR7 (0.43) HTR7TMEM97SIGMAR1RAB9ANPC1
SCHEMBL640463 0.91 RAB9A (0.41) HTR7TMEM97SIGMAR1RAB9ANPC1
SCHEMBL3313366 0.89 CNR2 (0.43) HTR7TMEM97SIGMAR1RAB9ANPC1
SCHEMBL639832 0.89 CNR2 (0.43) HTR7TMEM97SIGMAR1RAB9ANPC1
SCHEMBL13649888 0.88 PSEN1 (0.53) HTR7TMEM97SIGMAR1RAB9ANPC1
SCHEMBL2307993 0.86 HTR7 (0.43) HTR7TMEM97SIGMAR1RAB9ANPC1
SCHEMBL640467 0.86 CASP3 (0.40) HTR7TMEM97SIGMAR1RAB9ANPC1
SCHEMBL10246104 0.86 NPC1 (0.43) HTR7TMEM97SIGMAR1RAB9ANPC1
SCHEMBL4404580 0.85 PSEN1 (0.46) HTR7TMEM97SIGMAR1RAB9ANPC1
SCHEMBL15267624 0.85 CASP3 (0.49) HTR7TMEM97SIGMAR1RAB9ANPC1

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
EP-2229394-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-09-22 EP claimed
WO-2009090055-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD HTR7 1873/4885TMEM97 2636/4885SIGMAR1 84/4885

“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.