SCHEMBL5954912

SCHEMBL5954912

CCc1nc(C(=O)[C@@H](N)CC)no1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
TPSAB1 Q15661 3/20 0.33
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
APOBEC3A P31941 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31
KLKB1 P03952 1/20 0.31

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
SCHEMBL5955726 1.00 PRSS1 (0.33) PRSS1PRSS2PRSS3TPSAB1KDM4E
SCHEMBL5527591 0.77 KDM4E (0.30) PRSS1PRSS2PRSS3TPSAB1KDM4E
SCHEMBL5527583 0.77 KDM4E (0.30) PRSS1PRSS2PRSS3TPSAB1KDM4E
SCHEMBL5955123 0.76 HDAC4 (0.42)
SCHEMBL14139294 0.75 SMYD3 (0.48) KDM4EL3MBTL1
SCHEMBL3852258 0.74 APOBEC3A (0.35) KDM4EALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL15332383 0.74 APOBEC3A (0.35) KDM4EALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL14427036 0.74 PRSS1 (0.32) PRSS1PRSS2PRSS3TPSAB1KDM4E
SCHEMBL6206620 0.73 HDAC6 (0.55) KDM4EHSD17B10
SCHEMBL5954867 0.73 HDAC6 (0.55) KDM4EHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US claimed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP claimed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO claimed
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US disclosed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO 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 (1 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-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE PRSS1 29/4885PRSS2 33/4885PRSS3 25/4885

“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.