SCHEMBL464264

SCHEMBL464264

CC(C)[C@H](NC(=O)[C@@H](NC(=O)CCCCC(=O)OC(C)(C)C)C(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SDCBP O00560 3/20 0.42
SDC2 P34741 3/20 0.42
EPHX2 P34913 3/20 0.41
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 1/20 0.40
REN P00797 1/20 0.36
CTSD P07339 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6444837 0.86 EPHX2 (0.44) SDCBPSDC2EPHX2PLA2G2APLA2G5
SCHEMBL22064142 0.80 CTSS (0.45) CTSSCTSKSDCBPSDC2CA1
SCHEMBL12012827 0.80 EPHX2 (0.40) SDCBPSDC2EPHX2PLA2G2APLA2G5
SCHEMBL12194620 0.80 EPHX2 (0.42) SDCBPSDC2EPHX2PLA2G2APLA2G5
SCHEMBL622468 0.79 EPHX2 (0.48) SDCBPSDC2EPHX2PLA2G2APLA2G5
SCHEMBL6446232 0.79 EPHX2 (0.48) SDCBPSDC2EPHX2PLA2G2APLA2G5
SCHEMBL25908085 0.79 PSENEN (0.40) CTSSCTSKSDCBPSDC2REN
SCHEMBL19656347 0.79 PSENEN (0.40) CTSSCTSKSDCBPSDC2REN
SCHEMBL24140411 0.79 CA1 (0.39) CTSSCTSKSDCBPSDC2EPHX2
SCHEMBL15623788 0.79 PLA2G2A (0.56) SDCBPSDC2EPHX2PLA2G2APLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 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 (4 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD CTSS 15/4885CTSK 86/4885SDCBP 4126/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSS 15/4885CTSK 86/4885SDCBP 4126/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSS 15/4885CTSK 86/4885SDCBP 4126/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP CTSS 8/4885CTSK 46/4885SDCBP 4322/4885

“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.