SCHEMBL7850122

SCHEMBL7850122

COC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.42
HPGD P15428 1/20 0.41
ACE P12821 2/20 0.40
NOTUM Q6P988 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR2 O43614 1/20 0.38
PRMT5 O14744 4/20 0.37
WDR77 Q9BQA1 4/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
GAA P10253 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7856938 0.90 ABHD6 (0.43) ABHD6HPGDACENOTUMHRH3
SCHEMBL8259154 0.90 ABHD6 (0.41) ABHD6HPGDACENOTUMNPC1
SCHEMBL3748218 0.85 PRMT5 (0.47) ABHD6NOTUMNPC1RAB9APRMT5
SCHEMBL2612174 0.85 PRMT5 (0.47) ABHD6NOTUMNPC1RAB9APRMT5
SCHEMBL14597934 0.85 ABHD6 (0.41) ABHD6HPGDACENOTUMHRH3
SCHEMBL16418965 0.82 ABHD6 (0.34) ABHD6DPP8
SCHEMBL2102201 0.82 NOTUM (0.45) ABHD6HPGDNOTUMNPC1RAB9A
SCHEMBL2608458 0.82 NOTUM (0.45) ABHD6HPGDNOTUMNPC1RAB9A
SCHEMBL2102200 0.82 NOTUM (0.45) ABHD6HPGDNOTUMNPC1RAB9A
SCHEMBL8253789 0.82 NOTUM (0.45) ABHD6HPGDNOTUMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119602-B2 Administration of HCV protease inhibitors in combination with food to improve bioavailability SCHERING CORPORATION (US) 2012-02-21 US disclosed
US-7772178-B2 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-7399749-B2 Substituted prolines as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-07-15 US disclosed
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same SCHERING CORPORATION 2007-10-11 US disclosed
US-20070232527-A1 Medicaments and methods combining a HCV protease inhibitor and an AKR competitor SCHERING CORPORATION 2007-10-04 US disclosed
US-20070207949-A1 Medicaments and methods combining a HCV protease inhibitor and an AKR competitor SCHERING CORPORATION 2007-09-06 US disclosed
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor SCHERING CORPORATION 2007-01-25 US disclosed
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION 2007-01-11 US disclosed
US-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor SCHERING CORPORATION 2007-01-04 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 (6 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-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor IFNAR1, IFNG, IRF3 ABHD6 2721/4885HPGD 1317/4885ACE 41/4885
US-20070232527-A1 Medicaments and methods combining a HCV protease inhibitor and an AKR competitor CTSV, AKR1B1, AKR1A1 ABHD6 1537/4885HPGD 569/4885ACE 50/4885
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor PYGL, SERPINB1, PREP ABHD6 4244/4885HPGD 1696/4885ACE 63/4885
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same LPXN, SLC5A11, F12 ABHD6 2544/4885HPGD 2251/4885ACE 911/4885
US-20070207949-A1 Medicaments and methods combining a HCV protease inhibitor and an AKR competitor CTSV, AKR1B1, AKR1A1 ABHD6 1537/4885HPGD 569/4885ACE 50/4885
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same CTRL, PEPD, PRCP ABHD6 3617/4885HPGD 2178/4885ACE 31/4885

“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.