SCHEMBL10114515

SCHEMBL10114515

COc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.69
NPC1 O15118 9/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
TP53 P04637 4/20 0.69
ALOX15 P16050 1/20 0.69
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 5/20 0.58
CYP1A2 P05177 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 6/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
GAA P10253 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL10116240 0.90 MEN1 (0.55) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL10116196 0.85 TRPV1 (0.70) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL19997244 0.85 CA1 (0.61) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL10116194 0.84 MEN1 (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10116183 0.84 NPC1 (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10116182 0.84 KMT2A (0.57) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL10116238 0.84 KDM4E (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10116356 0.84 F10 (0.53) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL10114588 0.83 LMNA (0.53) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.83 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15

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 RAB9A 3699/4885NPC1 1435/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3651/4885NPC1 1353/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885NPC1 1462/4885SMN1; 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.