SCHEMBL416783

SCHEMBL416783

CCC[C@H](C)C(O)C(F)(F)C(=O)N[C@@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.42
ATM Q13315 1/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL418575 0.88 TACR1 (0.47) CTSKPOLBMAPTALDH1A1
SCHEMBL418576 0.88 CTSK (0.40) CTSKATMPOLBTDP1MAPT
SCHEMBL13318751 0.88 TACR1 (0.47) CTSKPOLBMAPTALDH1A1
SCHEMBL12011311 0.84 REN (0.50) CTSKPOLBTDP1MAPTCTSL
SCHEMBL13092060 0.84 REN (0.50) CTSKPOLBTDP1MAPTCTSL
SCHEMBL417748 0.78 POLB (0.49) CTSKPOLBMAPT
SCHEMBL23170057 0.76 POLB (0.52) ATMPOLBTDP1MAPTALDH1A1
SCHEMBL417751 0.75 REN (0.46) POLBMAPT
SCHEMBL18375111 0.75 CTSK (0.51) CTSKATMPOLBCTSLCTSB
SCHEMBL17483729 0.75 POLB (0.51) ATMPOLBTDP1MAPTALDH1A1

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 4 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-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 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 (3 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 CTSK 86/4885ATM 4484/4885POLB 2945/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD CTSK 86/4885ATM 4484/4885POLB 2945/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP CTSK 46/4885ATM 4496/4885POLB 2212/4885

“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.