SCHEMBL3398803

SCHEMBL3398803

CS(=O)(=O)c1ccc(NCC2CC2)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
ALDH3A1 P30838 1/20 0.56
BRD4 O60885 8/20 0.54
PTGER4 P35408 3/20 0.52
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LRRK2 Q5S007 1/20 0.42
VCP P55072 2/20 0.41
G6PD P11413 1/20 0.41
IDE P14735 1/20 0.41
PTGS2 P35354 2/20 0.40

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
SCHEMBL3994829 0.91 ALDH1A1 (0.51) ALDH1A1ALDH3A1BRD4PTGER4MEN1
SCHEMBL3995363 0.87 BRD4 (0.55) ALDH1A1ALDH3A1BRD4PTGER4
SCHEMBL3996701 0.85 BRD4 (0.51) ALDH1A1ALDH3A1BRD4PTGER4
SCHEMBL15068205 0.82 ALDH1A1 (0.56) ALDH1A1ALDH3A1BRD4PTGER4MEN1
SCHEMBL4000487 0.82 GBA1 (0.47) ALDH1A1ALDH3A1BRD4PTGER4
SCHEMBL3997818 0.82 ALDH1A1 (0.53) ALDH1A1ALDH3A1BRD4PTGER4MEN1
SCHEMBL2014382 0.80 ALDH1A1 (0.53) ALDH1A1ALDH3A1LRRK2G6PDIDE
SCHEMBL3369999 0.79 KMT2A (0.69) ALDH1A1ALDH3A1BRD4MEN1KMT2A
SCHEMBL3997147 0.79 RORC (0.48) ALDH1A1ALDH3A1BRD4PTGER4MEN1
SCHEMBL1700398 0.78 BRD4 (0.48) ALDH1A1ALDH3A1BRD4PTGER4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994011-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC (JP) 2010-10-13 EP disclosed
US-7700618-B2 Sulfonyl benzimidazole derivatives PFIZER INC (US) 2010-04-20 US disclosed
US-7598393-B2 Sulfonyl benzimidazole derivatives PFIZER INC. (US) 2009-10-06 US disclosed
US-20090137584-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC. (JP) 2009-05-28 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 (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-20090137584-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES TRPV1, CNR2, CNR1 ALDH1A1 3471/4885ALDH3A1 3288/4885BRD4 211/4885
US-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 ALDH1A1 2810/4885ALDH3A1 2944/4885BRD4 207/4885

“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.