SCHEMBL10113096

SCHEMBL10113096

Cc1cc(=O)oc2cc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.70
▸ ALDH1A1 P00352 6/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.70
▸ GAA P10253 3/20 0.70
▸ CA12 O43570 9/20 0.54
▸ CA9 Q16790 9/20 0.54
▸ CA1 P00915 6/20 0.54
▸ HPGD P15428 5/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ MEN1 O00255 2/20 0.49

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
SCHEMBL13203715 1.00 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL10113951 0.87 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL10114635 0.87 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL10133360 0.83 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL10114412 0.83 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL17090316 0.82 CA12 (0.51) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL13564928 0.82 CA12 (0.51) KDM4EALDH1A1SMN1; SMN2GAACA12
SCHEMBL14424172 0.79 NPY5R (0.53) KDM4ESMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL10114536 0.79 NPY5R (0.53) KDM4ESMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL10114303 0.78 NPY5R (0.57) KDM4EALDH1A1GAAKMT2AMEN1

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 7 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-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 KDM4E 1627/4885ALDH1A1 4599/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885ALDH1A1 4517/4885SMN1; 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.

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