SCHEMBL463948

SCHEMBL463948

CCCC(N)C(O)C(=O)N[C@@H](C)CC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 14/20 0.46
METAP1 P53582 10/20 0.46
ANPEP P15144 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SLC15A1 P46059 1/20 0.35

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
SCHEMBL13427296 1.00 METAP2 (0.46) METAP2METAP1ANPEPDNPEPMMP1
Hydrochloric Acid SCHEMBL14973924 0.89 METAP2 (0.46) METAP2METAP1ANPEPDNPEPDPP8
SCHEMBL14974240 0.85 METAP2 (0.48) METAP2METAP1ANPEPDNPEPDPP8
Hydrochloric Acid SCHEMBL14973999 0.84 METAP2 (0.41) METAP2METAP1ANPEPDNPEPDPP8
SCHEMBL12207960 0.82 METAP2 (0.41) METAP2METAP1ANPEPDNPEPMMP1
SCHEMBL418571 0.82 METAP2 (0.46) METAP2METAP1ANPEPDNPEPDPP8
Hydrochloric Acid SCHEMBL7359557 0.81 METAP2 (0.65) METAP2METAP1
SCHEMBL15087464 0.77 MMP1 (0.38) METAP2MMP1MMP2MMP3PKM
SCHEMBL12413226 0.77 METAP2 (0.42) METAP2METAP1ANPEPDNPEPDPP8
SCHEMBL8138370 0.77 METAP2 (0.42) METAP2METAP1ANPEPDNPEPDPP8

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 METAP2 230/4885METAP1 100/4885ANPEP 27/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD METAP2 230/4885METAP1 100/4885ANPEP 27/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD METAP2 230/4885METAP1 100/4885ANPEP 27/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP METAP2 172/4885METAP1 89/4885ANPEP 24/4885

“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.