SCHEMBL10114036

SCHEMBL10114036

COC(=O)c1scc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)c1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.40
▸ HTT P42858 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ GRIA2 P42262 2/20 0.34
▸ TSHR P16473 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ STK17B O94768 1/20 0.33

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
SCHEMBL10133363 0.85 NPY5R (0.46) KDM4EHTTATMALDH1A1NPC1
SCHEMBL13203779 0.85 NPY5R (0.46) KDM4EHTTATMALDH1A1NPC1
SCHEMBL13565823 0.82 PTGER4 (0.37) KDM4E
SCHEMBL13973373 0.79 KDM4E (0.46) KDM4EHTTATMALDH1A1NPC1
SCHEMBL10133356 0.79 BRD4 (0.42) ALDH1A1NPC1RAB9ABRD4GRIA2
SCHEMBL12882308 0.78 BRD4 (0.36) ALDH1A1BRD4GRIA2
SCHEMBL13052680 0.78 KDM4E (0.42) KDM4EHTTATMALDH1A1NPC1
SCHEMBL13204283 0.73 HTT (0.58) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10114008 0.73 HTT (0.58) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10113981 0.72 RAB9A (0.61) HTTALDH1A1RAB9ASMN1; SMN2MAPT

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-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
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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R KDM4E 1668/4885HTT 2081/4885ATM 4841/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885HTT 1904/4885ATM 4831/4885

“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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