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SCHEMBL10115871

SCHEMBL10115871

COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ KMT2A Q03164 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ BLM P54132 1/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ LMNA P02545 1/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PTPN7 P35236 1/20 0.51
▸ PAK1 Q13153 1/20 0.51
▸ EPHX2 P34913 1/20 0.50

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
SCHEMBL13222448 0.87 GAA (0.50) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL12882838 0.87 TSHR (0.48) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL10115847 0.87 LMNA (0.59) MAPTKMT2ASMN1; SMN2LMNAGAA
SCHEMBL10116097 0.87 NAMPT (0.51) MAPTSMN1; SMN2
SCHEMBL10115875 0.87 EPHX2 (0.67) CYP2C9CYP2C19EPHX2
SCHEMBL10116113 0.86 FAAH (0.52) SMN1; SMN2
SCHEMBL10116112 0.86 GPR119 (0.49) MAPTKMT2ASMN1; SMN2MEN1CYP2C9
SCHEMBL10115852 0.86 NPC1 (0.57) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL10114601 0.86 KMT2A (0.59) MAPTKMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL10115865 0.86 ALOX5 (0.56) MAPTKMT2ASMN1; SMN2MEN1LMNA

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 MAPT 3602/4885KMT2A 2912/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885KMT2A 2768/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885KMT2A 2953/4885SMN1; 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.