SCHEMBL464311

SCHEMBL464311

CCC[C@H](NCl)C(O)C(F)(F)C(=O)NCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
EGLN1 Q9GZT9 1/20 0.31
FPR2 P25090 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12012832 0.82
SCHEMBL417749 0.80 CYP1A2 (0.42) ALDH1A1LMNAMAPT
SCHEMBL12290407 0.79 FAAH (0.36) FAAHEGLN1ALDH1A1LMNAMAPT
SCHEMBL12195057 0.79 CTSK (0.43)
SCHEMBL12012833 0.79 FAAH (0.36) FAAHTDP1
SCHEMBL464312 0.75 CTSS (0.37)
SCHEMBL417565 0.74 POLB (0.46) MAPT
SCHEMBL464310 0.71 NPSR1 (0.50) FPR2
SCHEMBL418576 0.69 CTSK (0.40) ALDH1A1MAPTTDP1
SCHEMBL464206 0.67 CTSK (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
EP-2371839-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-05 EP disclosed
EP-2368901-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP 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

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-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD FAAH 2538/4885EGLN1 1803/4885FPR2 3603/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP FAAH 2336/4885EGLN1 2266/4885FPR2 3275/4885

“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.