SCHEMBL463955

SCHEMBL463955

COC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ANPEP P15144 1/20 0.52
CTSD P07339 4/20 0.50
MME P08473 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL11114258 0.87 MME (0.58) ALDH1A1MMENPC1RAB9A
SCHEMBL11114262 0.87 MME (0.58) ALDH1A1MMENPC1RAB9A
SCHEMBL7421501 0.86 MEN1 (0.51) KLK5MEN1KMT2AALDH1A1CTSD
SCHEMBL7421505 0.86 MEN1 (0.51) KLK5MEN1KMT2AALDH1A1CTSD
SCHEMBL7421499 0.86 MEN1 (0.51) KLK5MEN1KMT2AALDH1A1CTSD
SCHEMBL8894290 0.84 CTSD (0.66) MEN1KMT2AALDH1A1THRBCYP2C9
SCHEMBL3202559 0.82 CTSD (0.69) ANPEPCTSD
SCHEMBL9555884 0.81 BIRC2 (0.67) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9555877 0.81 BIRC2 (0.67) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL11319330 0.80 PSMB5 (0.59) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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 14 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
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP 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
EP-2371839-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-05 EP disclosed
EP-2368877-A1 Chiral intermediates for the preparation of 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
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
EP-1876173-A1 Chiral intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-09 EP 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 KLK5 475/4885MEN1 3086/4885KMT2A 3611/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD KLK5 475/4885MEN1 3086/4885KMT2A 3611/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD KLK5 475/4885MEN1 3086/4885KMT2A 3611/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP KLK5 382/4885MEN1 3270/4885KMT2A 3519/4885

“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.