SCHEMBL13251685

SCHEMBL13251685

CCCCC(NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(C)(=O)=O)C(C)(C)C)C1CCCCC1)C(=O)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HTRA1 Q92743 16/20 0.34

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
SCHEMBL8280500 0.96 HTRA1 (0.33) HTRA1
SCHEMBL14583634 0.94 HTRA1 (0.31) HTRA1
SCHEMBL13251678 0.91 HTRA1 (0.36) HTRA1
SCHEMBL7857572 0.90 CTSL (0.38) HTRA1
SCHEMBL14598540 0.90 CTSL (0.38) HTRA1
SCHEMBL13251684 0.90 HTRA1 (0.31) HTRA1
SCHEMBL13251683 0.86 CTSL (0.33) —
SCHEMBL16316610 0.85 MMP1 (0.34) HTRA1
SCHEMBL16301584 0.85 MMP1 (0.34) HTRA1
SCHEMBL8282361 0.82 NR1I2 (0.33) —

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-7759499-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-07-20 — — US disclosed
US-7759499-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-07-20 — — US disclosed
US-7718691-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-05-18 — — US disclosed
US-7718691-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-05-18 — — US disclosed
US-7192957-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-20 — — US disclosed
US-7192957-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-20 — — US disclosed
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-03-01 — — US disclosed
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-03-01 — — US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 — — US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 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 (2 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-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SERPINB1, HAVCR2, HPN HTRA1 22/4885
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases HAVCR2, ENPEP, SERPINB1 HTRA1 316/4885

“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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