SCHEMBL4404580

SCHEMBL4404580

CCCCC1CCCCN1S(=O)(=O)c1c(C)cc(OC)cc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
HTR7 P34969 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CASP3 P42574 4/20 0.42
CASP7 P55210 4/20 0.42
CASP1 P29466 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
FKBP1A P62942 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 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
SCHEMBL13649888 0.93 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL639859 0.90 NPC1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL639468 0.90 HTR7 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13368948 0.89 HTR7 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL639482 0.88 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3441934 0.88 HTR7 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10205747 0.88 NPC1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10246104 0.87 NPC1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2307993 0.87 HTR7 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL698250 0.87 NPC1 (0.44) HTR7TMEM97SIGMAR1NPC1RAB9A

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-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 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 (2 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN PSEN1 1466/4885PSEN2 2378/4885APH1B 1803/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A PSEN1 2453/4885PSEN2 2862/4885APH1B 3550/4885

“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.