SCHEMBL4000487

SCHEMBL4000487

Nc1cc(S(=O)(=O)c2ccccc2)ccc1NCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
PTGER4 P35408 2/20 0.46
FFAR2 O15552 1/20 0.45
NPC1 O15118 1/20 0.43
HTR6 P50406 6/20 0.42
BRD4 O60885 2/20 0.42
SLC6A4 P31645 2/20 0.40
NPY5R Q15761 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
KDM4C Q9H3R0 2/20 0.39
ALDH3A1 P30838 1/20 0.39
NSD2 O96028 1/20 0.39
PARG Q86W56 1/20 0.39

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
SCHEMBL3398803 0.82 ALDH1A1 (0.56) PTGER4BRD4ALDH1A1ALDH3A1
SCHEMBL3995363 0.81 BRD4 (0.55) PTGER4BRD4ALDH1A1ALDH3A1
SCHEMBL3997877 0.81 PKM (0.53) ALDH1A1PKM
SCHEMBL4969247 0.81 HTR6 (0.51) GBA1PTGER4HTR6ALDH1A1PKM
SCHEMBL3996701 0.78 BRD4 (0.51) PTGER4BRD4ALDH1A1ALDH3A1PARG
SCHEMBL3997818 0.78 ALDH1A1 (0.53) PTGER4BRD4ALDH1A1ALDH3A1
SCHEMBL4969033 0.76 FFAR4 (0.49) GBA1HTR6ALDH1A1PKMALDH3A1
SCHEMBL4967027 0.75 FFAR4 (0.48) GBA1HTR6ALDH1A1PKMALDH3A1
SCHEMBL8028185 0.75 NPC1 (0.54) NPC1HTR6ALDH1A1PKM
SCHEMBL1700398 0.75 BRD4 (0.48) PTGER4BRD4ALDH1A1PKMALDH3A1

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-7598393-B2 Sulfonyl benzimidazole derivatives PFIZER INC. (US) 2009-10-06 US disclosed
EP-1809607-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2008-12-17 EP disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 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-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 GBA1 116/4885PTGER4 647/4885FFAR2 146/4885

“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.