SCHEMBL14718629

SCHEMBL14718629

Cc1ccc(S(=O)(=O)ON2CC(=O)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.54
MMP2 P08253 2/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
PKM P14618 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
MPI P34949 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 2/20 0.41

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
SCHEMBL3733730 0.84 VDR (0.47) VDRMMP2ALDH1A1KDM4EHPGD
SCHEMBL5185491 0.83 VDR (0.54) VDRMMP2ALDH1A1KDM4EHPGD
SCHEMBL3739465 0.83 VDR (0.51) VDRMMP2ALDH1A1KDM4EHPGD
SCHEMBL28290954 0.80 PKM (0.53) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL2531424 0.80 VDR (0.51) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL631561 0.79 KMT2A (0.50) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL15006565 0.78 VDR (0.46) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL8217662 0.77 CYP2D6 (0.52) VDRALDH1A1KDM4EHPGDPKM
Water SCHEMBL16927693 0.77 KMT2A (0.49) VDRALDH1A1KDM4EHPGDPKM
SCHEMBL64214 0.76 PARL (0.68) VDRMMP2ALDH1A1KDM4EHPGD

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-20130053565-A1 SUBSTITUTED 3-PIPERIDONE COMPOUNDS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-02-28 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-20130053565-A1 SUBSTITUTED 3-PIPERIDONE COMPOUNDS HTR3C, NPEPPS, RAP2C VDR 1354/4885MMP2 2735/4885ALDH1A1 261/4885

“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.