SCHEMBL464207

SCHEMBL464207

CCC[C@H](NC(=O)OC(C)(C)C)C(O)C(F)(F)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSK P43235 10/20 0.40
CTSS P25774 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
REN P00797 1/20 0.37

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
SCHEMBL8238888 0.88 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL7334831 0.88 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL15247712 0.85 CTSK (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL12011309 0.85 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL1642695 0.83 CYP1A2 (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL17282942 0.83 CYP1A2 (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL16492817 0.83 CYP1A2 (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL12011310 0.82 CTSK (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL8012978 0.81 FNTA (0.36) CA1CA2CA7CTSK
SCHEMBL21960142 0.81 CYP2D6 (0.52) CA1CA2CA7CTSKCTSS

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 10 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-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
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 CA1 3427/4885CA2 3765/4885CA7 2730/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CA1 3427/4885CA2 3765/4885CA7 2730/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CA1 3427/4885CA2 3765/4885CA7 2730/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP CA1 3726/4885CA2 3324/4885CA7 2183/4885

“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.