SCHEMBL12600876

SCHEMBL12600876

COC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)C1CCCCC1)C2(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ MMP2 P08253 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MGLL Q99685 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 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
SCHEMBL14073406 0.88 AGTR2 (0.40) F13A1TGM2MMP2ANPEPMAPT
SCHEMBL8244941 0.86 MGLL (0.40) MMP2ANPEPMAPTMGLLALDH1A1
SCHEMBL12141232 0.85 THRB (0.36) F13A1TGM2MMP2ANPEPMAPT
SCHEMBL14583933 0.84 F13A1 (0.41) F13A1TGM2
SCHEMBL12142687 0.84 F13A1 (0.41) F13A1TGM2
SCHEMBL14569797 0.84 F13A1 (0.41) F13A1TGM2
SCHEMBL7850110 0.84 F13A1 (0.41) F13A1TGM2
SCHEMBL8280794 0.81 ALDH1A1 (0.35) F13A1TGM2MMP2ANPEPMAPT
SCHEMBL16313133 0.78 MGLL (0.35) F13A1TGM2CYP1A2CYP2D6MGLL
SCHEMBL16316336 0.78 F13A1 (0.37) F13A1TGM2ALDH1A1

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
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 — — EP disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 — — US disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 — — US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 — — 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 (1 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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB F13A1 1882/4885TGM2 3437/4885MMP2 945/4885

“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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