SCHEMBL10115550

SCHEMBL10115550

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
LMNA P02545 5/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 3/20 0.51
TP53 P04637 2/20 0.51
GAA P10253 3/20 0.50
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
KDM4C Q9H3R0 1/20 0.50
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL10115527 0.89 LMNA (0.66) LMNANPSR1MAPTGAAKMT2A
SCHEMBL10115617 0.89 LMNA (0.53) ALOX5LMNANPSR1MAPTTP53
SCHEMBL12882021 0.89 LMNA (0.53) ALOX5LMNANPSR1CA12CA2
SCHEMBL10115539 0.88 NPC1 (0.55) LMNANPSR1MAPTTP53KMT2A
SCHEMBL10114621 0.88 KMT2A (0.59) LMNANPSR1MAPTGAACA12
SCHEMBL10115581 0.88 CNR2 (0.56) LMNANPSR1MAPTCA12CA2
SCHEMBL10115579 0.88 ALDH1A1 (0.55) LMNANPSR1TP53GAASMN1; SMN2
SCHEMBL10115573 0.87 CYP3A4 (0.57) LMNANPSR1MAPTTP53KMT2A
SCHEMBL10115626 0.87 LMNA (0.51) LMNANPSR1MAPTTP53CA12
SCHEMBL10115614 0.87 LMNA (0.51) LMNANPSR1CA12CA2CA9

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 11 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-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-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
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R ALOX5 486/4885LMNA 1925/4885NPSR1 7/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALOX5 464/4885LMNA 2068/4885NPSR1 8/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALOX5 477/4885LMNA 1857/4885NPSR1 7/4885

“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.