SCHEMBL10113388

SCHEMBL10113388

CCCCc1ccc(NC(=O)OCCCCN[S+]([O-])C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.47
RAB9A P51151 10/20 0.47
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 8/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CASP1 P29466 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RECQL P46063 1/20 0.46
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL10113649 0.86 NPC1 (0.53) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL10112840 0.83 HPGD (0.56) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL10113004 0.82 HPGD (0.55) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL10113022 0.82 HPGD (0.57) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL10113378 0.79 NPC1 (0.48) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL13438606 0.79 HPGD (0.42) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL13438599 0.78 NPC1 (0.41) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL13564731 0.78 NPC1 (0.41) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL10113006 0.76 ESRRG (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL28979305 0.76 NPC1 (0.63) NPC1RAB9AHPGDSMN1; SMN2MAPT

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 12 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-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 NPC1 1435/4885RAB9A 3699/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885HPGD 3475/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885HPGD 3476/4885

“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.