SCHEMBL10133378

SCHEMBL10133378

CC1CN(S(=O)(=O)c2cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c2)CC(C)O1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
GAA P10253 4/20 0.51
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
USP2 O75604 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 3/20 0.47
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MITF O75030 1/20 0.45
HTT P42858 1/20 0.45
NOD2 Q9HC29 1/20 0.45
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL10115061 1.00 ALDH1A1 (0.51) ALDH1A1GAARXFP1SMN1; SMN2TP53
SCHEMBL14418520 0.89 ALDH1A1 (0.61) ALDH1A1GAARXFP1SMN1; SMN2USP2
SCHEMBL10115022 0.89 ALDH1A1 (0.61) ALDH1A1GAARXFP1SMN1; SMN2USP2
SCHEMBL10134474 0.89 ALDH1A1 (0.61) ALDH1A1GAARXFP1SMN1; SMN2USP2
SCHEMBL10115272 0.87 ALDH1A1 (0.51) ALDH1A1GAARXFP1SMN1; SMN2TP53
SCHEMBL10134141 0.87 ALDH1A1 (0.51) ALDH1A1GAARXFP1SMN1; SMN2TP53
SCHEMBL13565248 0.86 SMN1; SMN2 (0.44) ALDH1A1GAARXFP1SMN1; SMN2TP53
SCHEMBL17090270 0.86 SMN1; SMN2 (0.44) ALDH1A1GAARXFP1SMN1; SMN2TP53
SCHEMBL10134444 0.85 GAA (0.48) ALDH1A1GAATP53USP2KMT2A
SCHEMBL10114977 0.85 GAA (0.48) ALDH1A1GAATP53USP2KMT2A

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885GAA 3316/4885RXFP1 53/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885GAA 3472/4885RXFP1 54/4885

“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.