SCHEMBL10133757

SCHEMBL10133757

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 3/20 0.52
NPY5R Q15761 1/20 0.52
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.47
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 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
SCHEMBL10114358 1.00 RAB9A (0.53) RAB9ANPC1ALDH1A1NPY5RKMT2A
SCHEMBL13523280 0.89 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1NPY5RKMT2A
SCHEMBL10133759 0.84 MAPT (0.56) ALDH1A1NPY5RKMT2A
SCHEMBL10114341 0.84 MAPT (0.56) ALDH1A1NPY5RKMT2A
SCHEMBL13204302 0.84 RAB9A (0.56) RAB9ANPC1ALDH1A1KMT2AMAPK1
SCHEMBL10113996 0.84 RAB9A (0.56) RAB9ANPC1ALDH1A1KMT2AMAPK1
SCHEMBL10133208 0.83 L3MBTL1 (0.56) RAB9ANPC1NPY5RKMT2AEPHX2
SCHEMBL10114307 0.83 L3MBTL1 (0.56) RAB9ANPC1NPY5RKMT2AEPHX2
SCHEMBL3711806 0.82 RAB9A (0.73) RAB9ANPC1ALDH1A1KMT2AMAPK1
SCHEMBL10115575 0.82 MEN1 (0.53) RAB9AKMT2AKDM4EEPHX2UBE2M

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 8 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
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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

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 RAB9A 3699/4885NPC1 1435/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3651/4885NPC1 1353/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885NPC1 1462/4885ALDH1A1 4517/4885

“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.