SCHEMBL416759

SCHEMBL416759

COC(=O)[C@@H](NC(=O)[C@@H](N)CC1CCCCC1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 0.40
▸ CTSK P43235 2/20 0.40
▸ CTSS P25774 1/20 0.40
▸ MMP1 P03956 4/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL416758 0.86 CTSK (0.40) METAP2CTSKCTSSMMP1MMP13
SCHEMBL3806162 0.80 METAP2 (0.44) METAP2CTSKAAK1METAP1
SCHEMBL240252 0.80 METAP2 (0.44) METAP2CTSKAAK1METAP1
SCHEMBL702585 0.80 METAP2 (0.44) METAP2CTSKAAK1METAP1
SCHEMBL702586 0.80 METAP2 (0.44) METAP2CTSKAAK1METAP1
SCHEMBL418389 0.80 MMP1 (0.38) MMP1AAK1TSHR
Hydrochloric Acid SCHEMBL15619093 0.79 MMP1 (0.38) MMP1AAK1TSHR
Hydrochloric Acid SCHEMBL15618898 0.79 MMP1 (0.38) MMP1AAK1TSHR
Hydrochloric Acid SCHEMBL15618895 0.79 MMP1 (0.38) MMP1AAK1TSHR
Hydrochloric Acid SCHEMBL240251 0.79 METAP2 (0.43) METAP2CTSKAAK1METAP1

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 18 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-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-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-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-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 — — US disclosed
US-20100324059-A1 PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2010-12-23 — — US disclosed
US-20100324059-A1 PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2010-12-23 — — 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
EP-1878720-A1 Process for preparing chiral bicycloprolinates as intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-16 — — 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 (5 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 230/4885CTSK 86/4885CTSS 15/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD METAP2 230/4885CTSK 86/4885CTSS 15/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD METAP2 230/4885CTSK 86/4885CTSS 15/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP METAP2 172/4885CTSK 46/4885CTSS 8/4885
US-20100324059-A1 PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HCV HAVCR2, LIPC, CPT1A METAP2 404/4885CTSK 490/4885CTSS 694/4885

“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.

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