SCHEMBL10154252

SCHEMBL10154252

CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
TP53 P04637 2/20 0.68
EPHX2 P34913 1/20 0.67
HPGD P15428 1/20 0.65
NPC1 O15118 2/20 0.64
GAA P10253 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
RAB9A P51151 1/20 0.64
MAPT P10636 2/20 0.62
KDM4C Q9H3R0 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL12376703 0.85 TP53 (0.79) ALDH1A1TP53EPHX2HPGDNPC1
SCHEMBL12561700 0.85 HPGD (0.72) ALDH1A1TP53EPHX2HPGDGAA
SCHEMBL2285784 0.83 ALDH1A1 (0.76) ALDH1A1TP53EPHX2NPC1GAA
SCHEMBL12101129 0.82 PKM (0.75) ALDH1A1TP53EPHX2HPGDNPC1
SCHEMBL20240865 0.80 ALDH1A1 (0.72) ALDH1A1TP53EPHX2NPC1GAA
SCHEMBL14365707 0.80 MEN1 (0.69) ALDH1A1EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL8091601 0.79 EPHX2 (0.88) ALDH1A1EPHX2GAAMEN1KMT2A
Zinc Ion SCHEMBL9443922 0.79 NPC1 (0.63) ALDH1A1TP53EPHX2NPC1GAA
SCHEMBL3930409 0.79 EPHX2 (0.66) ALDH1A1TP53EPHX2HPGDNPC1
SCHEMBL14618817 0.78 MEN1 (0.62) ALDH1A1TP53EPHX2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 WO 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA ALDH1A1 3496/4885TP53 1450/4885EPHX2 1041/4885

“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.