SCHEMBL10113141

SCHEMBL10113141

Cc1csc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.61
NPY5R Q15761 1/20 0.53
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
ATAD2 Q6PL18 1/20 0.49
CHKA P35790 2/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CPS1 P31327 1/20 0.44
PKM P14618 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL13203737 1.00 RAB9A (0.61) RAB9ANPY5RALDH1A1SMN1; SMN2MAPK1
SCHEMBL10113981 0.83 RAB9A (0.61) RAB9AALDH1A1SMN1; SMN2MAPK1ATAD2
SCHEMBL3576354 0.83 RAB9A (0.85) RAB9AALDH1A1SMN1; SMN2MAPK1ATAD2
SCHEMBL13203857 0.82 MEN1 (0.48) RAB9ANPY5RALDH1A1SMN1; SMN2ATAD2
SCHEMBL10113322 0.82 MEN1 (0.48) RAB9ANPY5RALDH1A1SMN1; SMN2ATAD2
SCHEMBL17089947 0.79 NPC1 (0.42) RAB9ANPY5RALDH1A1SMN1; SMN2NPC1
SCHEMBL13564740 0.79 NPC1 (0.42) RAB9ANPY5RALDH1A1SMN1; SMN2NPC1
SCHEMBL10133352 0.78 RAB9A (0.47) RAB9ANPY5RALDH1A1SMN1; SMN2MAPK1
SCHEMBL13203777 0.78 RAB9A (0.47) RAB9ANPY5RALDH1A1SMN1; SMN2MAPK1
SCHEMBL29354384 0.76 RAB9A (1.00) RAB9AALDH1A1SMN1; SMN2ATAD2NPC1

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-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-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 (2 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 RAB9A 3651/4885NPY5R 1/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885NPY5R 1/4885ALDH1A1 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.