SCHEMBL6886590

SCHEMBL6886590

COC(=O)N1Cc2cccc(F)c2C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.54
DPP9 Q86TI2 2/20 0.54
DPP7 Q9UHL4 2/20 0.54
TRAP1 Q12931 7/20 0.52
ABHD6 Q9BV23 3/20 0.51
HSP90B1 P14625 3/20 0.50
NAMPT P43490 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
PKM P14618 1/20 0.41
KIF11 P52732 1/20 0.41
NOTUM Q6P988 1/20 0.41
KCNH2 Q12809 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL8422243 0.84 DPP8 (0.59) DPP8DPP9DPP7TRAP1ABHD6
SCHEMBL8404042 0.83 NOTUM (0.61) DPP8DPP9DPP7TRAP1ABHD6
SCHEMBL3427494 0.83 DPP8 (0.57) DPP8DPP9DPP7TRAP1ABHD6
SCHEMBL8221404 0.83 DDB1 (0.55) DPP8DPP9DPP7TRAP1ABHD6
SCHEMBL7946169 0.83 TRAP1 (0.49) TRAP1ABHD6NAMPTTAS1R3TAS1R1
SCHEMBL497487 0.81 TRAP1 (0.56) DPP8DPP9DPP7TRAP1ABHD6
SCHEMBL3055486 0.81 TRAP1 (0.56) DPP8DPP9DPP7TRAP1ABHD6
SCHEMBL30772456 0.81 TRAP1 (0.56) DPP8DPP9DPP7TRAP1ABHD6
SCHEMBL8192396 0.81 NOTUM (0.61) TRAP1HSP90B1NAMPTNPC1RAB9A
SCHEMBL8227303 0.80 TRAP1 (0.55) DPP8DPP9DPP7TRAP1ABHD6

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8729014-B2 Specific HCV NS3 protease inhibitors RFS PHARMA, LLC (US) 2014-05-20 US disclosed
US-8729014-B2 Specific HCV NS3 protease inhibitors RFS PHARMA, LLC (US) 2014-05-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8263549-B2 C5-substituted, proline-derived, macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-09-11 US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
WO-2009076173-A2 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
WO-2009070689-A1 BICYCLIC, C5-SUBSTITUTED PROLINE DERIVATIVES AS INHIBITORS OF THE HEPATITIS C VIRUS NS3 PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2009-06-04 WO disclosed
WO-2009070692-A1 C5-SUBSTITUTED, PROLINE-DERIVED, MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-04 WO disclosed
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2009-05-14 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
US-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080269228-A1 HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
WO-2008021956-A2 ACYLAMINOHETEROARYL HEPATITIS C VIRUS PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
US-20080039375-A1 Phosphorus-containing hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 WO 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 (7 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP DPP8 990/4885DPP9 1294/4885DPP7 1080/4885
US-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 DPP8 123/4885DPP9 227/4885DPP7 106/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS DPP8 828/4885DPP9 1345/4885DPP7 1305/4885
US-20080269228-A1 HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS HPN, SPINT2, PRSS1 DPP8 55/4885DPP9 70/4885DPP7 44/4885
US-20080039375-A1 Phosphorus-containing hepatitis C serine protease inhibitors PRSS1, PPP4C, G6PC1 DPP8 123/4885DPP9 162/4885DPP7 100/4885
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR HPN, PRSS1, SERPINB1 DPP8 139/4885DPP9 201/4885DPP7 156/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DPP8 148/4885DPP9 179/4885DPP7 176/4885

“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.