SCHEMBL10113994

SCHEMBL10113994

CCCCc1ccc(CNC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 6/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 2/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.40
ACACB O00763 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
SCHEMBL10112984 0.87 POLB (0.61) POLBSPHK1SMN1; SMN2LMNAKMT2A
SCHEMBL13564833 0.83 S1PR4 (0.44) POLBSPHK1SMN1; SMN2KMT2AMEN1
SCHEMBL10114100 0.83 POLB (0.50) POLBLMNAKMT2AALDH1A1CYP3A4
SCHEMBL10113997 0.83 ALDH1A1 (0.60) POLBSMN1; SMN2KMT2AALDH1A1TSHR
SCHEMBL10114927 0.82 EPHX2 (0.52) SMN1; SMN2LMNAKMT2AALDH1A1CYP3A4
SCHEMBL14424642 0.82 EPHX2 (0.52) SMN1; SMN2LMNAKMT2AALDH1A1CYP3A4
SCHEMBL13565060 0.82 KDM4E (0.41) POLBSMN1; SMN2KMT2AMEN1
SCHEMBL10114088 0.80 CYP2C19 (0.50) POLBKMT2AALDH1A1TSHRMEN1
SCHEMBL10114098 0.80 PKM (0.51) POLBSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL10113909 0.80 PLK1 (0.49) LMNAKMT2AHPGDEPHX2

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 11 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-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 POLB 4727/4885SPHK1 2895/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4751/4885SPHK1 2502/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4721/4885SPHK1 2798/4885SMN1; SMN2 2251/4885

“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.