SCHEMBL10113009

SCHEMBL10113009

CCCCc1ccc(NC(=O)CCCCCCNS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
ENPP2 Q13822 1/20 0.50
DGAT2 Q96PD7 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
HDAC6 Q9UBN7 2/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL10112855 0.99 HPGD (0.57) HPGDNPC1RAB9APOLBALDH1A1
SCHEMBL10113030 0.95 HPGD (0.59) HPGDNPC1RAB9APOLBALDH1A1
SCHEMBL10114984 0.93 ALDH1A1 (0.50) HPGDNPC1RAB9APOLBALDH1A1
SCHEMBL10113172 0.90 HPGD (0.55) HPGDNPC1RAB9APOLBALDH1A1
SCHEMBL10113481 0.88 NR1H4 (0.51) HPGDNPC1RAB9APOLBALDH1A1
SCHEMBL10114966 0.88 HDAC6 (0.60) HPGDALDH1A1LMNAENPP2DGAT2
SCHEMBL10113492 0.87 LMNA (0.48) HPGDNPC1RAB9APOLBALDH1A1
SCHEMBL13972905 0.87 ALDH1A1 (0.49) POLBALDH1A1LMNAHDAC6HDAC3
SCHEMBL10113485 0.86 EPHX2 (0.47) HPGDNPC1RAB9AALDH1A1LMNA
SCHEMBL10134044 0.86 ALDH1A1 (0.46) HPGDNPC1RAB9APOLBALDH1A1

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.