SCHEMBL464314

SCHEMBL464314

COC(=O)[C@@H](NC(=O)C1(NC(=O)c2cnccn2)CCCCC1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 1/20 0.41
PABPC1 P11940 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CNR1 P21554 2/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 3/20 0.37
CNR2 P34972 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ELANE P08246 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
SCHEMBL464169 0.89 LONP1 (0.42) LONP1PABPC1KDM4ECNR1CTSB
SCHEMBL14307779 0.89 LONP1 (0.42) LONP1PABPC1KDM4ECNR1CTSB
SCHEMBL14302378 0.80 PSMB11 (0.42) LONP1PABPC1KDM4ECNR1CTSB
SCHEMBL12194690 0.80 PABPC1 (0.38) LONP1PABPC1KDM4EMMP2ANPEP
SCHEMBL1842772 0.78 PABPC1 (0.49) PABPC1KDM4EMMP2ANPEPRAB9A
SCHEMBL12292045 0.78 ABCG2 (0.41) CTSBCTSSELANE
SCHEMBL12290418 0.78 ABCG2 (0.42) CTSBCTSSELANE
SCHEMBL14393224 0.78 ELANE (0.41) CTSBCTSSELANE
SCHEMBL13101902 0.77 CTSB (0.53) CTSBCTSSELANE
SCHEMBL12011322 0.77 CTSB (0.53) CTSBCTSSELANE

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 11 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
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 LONP1 456/4885PABPC1 1006/4885KDM4E 3376/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD LONP1 456/4885PABPC1 1006/4885KDM4E 3376/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD LONP1 456/4885PABPC1 1006/4885KDM4E 3376/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP LONP1 540/4885PABPC1 1297/4885KDM4E 3584/4885

“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.