SCHEMBL10113032

SCHEMBL10113032

CCCCc1ccc(NC(=O)OC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GHSR Q92847 1/20 0.41
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
CNR2 P34972 1/20 0.39
GALR3 O60755 1/20 0.39

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
SCHEMBL13052587 1.00 NPC1 (0.46) NPC1RAB9AHPGDPOLBALDH1A1
SCHEMBL10113912 0.85 NPC1 (0.46) NPC1RAB9AHPGDPOLBALDH1A1
SCHEMBL14627796 0.85 NPC1 (0.46) NPC1RAB9AHPGDPOLBALDH1A1
SCHEMBL12864650 0.84 POLB (0.61) NPC1RAB9AHPGDPOLBCA12
SCHEMBL10113036 0.84 POLB (0.61) NPC1RAB9AHPGDPOLBCA12
SCHEMBL10113010 0.84 POLB (0.61) NPC1RAB9AHPGDPOLBCA12
SCHEMBL10113025 0.81 HPGD (0.46) NPC1RAB9AHPGDPOLBALDH1A1
SCHEMBL10112952 0.81 HPGD (0.46) NPC1RAB9AHPGDPOLBALDH1A1
SCHEMBL597459 0.80 CNR2 (0.56) NPC1RAB9AHPGDPOLBALDH1A1
SCHEMBL10112954 0.80 HPGD (0.52) NPC1RAB9AHPGDPOLBALDH1A1

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 6 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-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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 (1 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885HPGD 3475/4885

“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.