SCHEMBL16300658

SCHEMBL16300658

CC(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ MMP2 P08253 4/20 0.39
▸ ANPEP P15144 2/20 0.39
▸ NR1H2 P55055 1/20 0.31
▸ HRH3 Q9Y5N1 3/20 0.31

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
SCHEMBL16349661 1.00 ATM (0.40) ATMMMP2ANPEPNR1H2HRH3
SCHEMBL16316489 1.00 ATM (0.40) ATMMMP2ANPEPNR1H2HRH3
SCHEMBL14524823 0.80 MMP2 (0.46) ATMMMP2ANPEPHRH3
SCHEMBL14155394 0.77 MMP2 (0.34) ATMMMP2ANPEP
SCHEMBL16316032 0.76 ATM (0.43) ATMMMP2ANPEPHRH3
SCHEMBL9603348 0.76 ATM (0.40) ATM
SCHEMBL9603346 0.76 ATM (0.40) ATM
SCHEMBL9603350 0.76 ATM (0.40) ATM
SCHEMBL31573201 0.75 UCHL1 (0.36) NR1H2
SCHEMBL16300598 0.73 ATM (0.43) ATMMMP2ANPEP

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 — — US disclosed
EP-1730110-B9 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-11-02 — — EP disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 — — US disclosed
US-7718691-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-05-18 — — US disclosed
US-7635694-B2 For treating hepatitis C and related disorders such as HIV, AIDS (Acquired Immune Deficiency Syndrome) SCHERING CORPORATION (US) 2009-12-22 — — US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 — — US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 — — US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 — — US disclosed
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-03-01 — — US disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 — — US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 — — 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 (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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ATM 3799/4885MMP2 425/4885ANPEP 22/4885
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SERPINB1, HAVCR2, HPN ATM 3821/4885MMP2 344/4885ANPEP 40/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP ATM 3799/4885MMP2 425/4885ANPEP 22/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ATM 3799/4885MMP2 425/4885ANPEP 22/4885
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease PRSS1, PRSS3, HPN ATM 3144/4885MMP2 965/4885ANPEP 85/4885

“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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