SCHEMBL10113004

SCHEMBL10113004

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
POLB P06746 1/20 0.51
ENPP2 Q13822 1/20 0.49
DGAT2 Q96PD7 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45

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
SCHEMBL10112840 0.99 HPGD (0.56) HPGDNPC1RAB9APOLBENPP2
SCHEMBL10113022 0.95 HPGD (0.57) HPGDNPC1RAB9APOLBENPP2
SCHEMBL10113647 0.83 NPC1 (0.56) HPGDNPC1RAB9APOLBENPP2
SCHEMBL10113388 0.82 NPC1 (0.47) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL13972780 0.82 HDAC3 (0.55) HPGDPOLBSMN1; SMN2ALDH1A1HDAC3
SCHEMBL13438599 0.82 NPC1 (0.41) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL13564731 0.82 NPC1 (0.41) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL13438606 0.80 HPGD (0.42) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL10113379 0.80 HDAC1 (0.57) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10113476 0.79 SIRT2 (0.55) HPGDNPC1RAB9APOLBENPP2

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

“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.