SCHEMBL3733730

SCHEMBL3733730

Cc1ccc(S(=O)(=O)ON2CCCC(=O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.47
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 3/20 0.41
MMP2 P08253 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 1/20 0.39
ACHE P22303 1/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 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
SCHEMBL29139490 0.85 PARL (0.54) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL14718629 0.84 VDR (0.54) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL28290954 0.82 PKM (0.53) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL2531424 0.82 VDR (0.51) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL3739465 0.81 VDR (0.51) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL631561 0.81 KMT2A (0.50) VDRALDH1A1KDM4EHPGDPKM
Water SCHEMBL16927693 0.80 KMT2A (0.49) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL5185491 0.79 VDR (0.54) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL1657104 0.76 VDR (0.49) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL29139524 0.74 BRD4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) HENKEL AG & CO. KGAA (DE) 2010-11-04 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-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) CCR3, CBR3, CCRL2 VDR 1353/4885ALDH1A1 105/4885KDM4E 3619/4885

“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.