SCHEMBL497487

SCHEMBL497487

O=C(O)N1Cc2cccc(F)c2C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 7/20 0.56
DPP8 Q6V1X1 2/20 0.55
DPP9 Q86TI2 2/20 0.55
DPP7 Q9UHL4 2/20 0.55
HSP90B1 P14625 2/20 0.53
NAMPT P43490 1/20 0.44
ABHD6 Q9BV23 2/20 0.43
NOTUM Q6P988 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
RIPK1 Q13546 1/20 0.39
TIPARP Q7Z3E1 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL30772456 1.00 TRAP1 (0.56) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL3055486 0.86 TRAP1 (0.56) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL13082467 0.85 RIPK1 (0.49) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL30924716 0.85 NPC1 (0.47) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL8207795 0.84 DPP8 (0.57) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL8227303 0.84 TRAP1 (0.55) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL8404042 0.84 NOTUM (0.61) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL8217297 0.83 TRAP1 (0.53) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL31692181 0.82 TRAP1 (0.46) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL6886590 0.81 DPP8 (0.54) TRAP1DPP8DPP9DPP7HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914614-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 EP claimed
CN-117529496-A Small molecule regulated cell signaling expression system 欧特佩斯生物公司 2024-02-06 CN disclosed
EP-2914614-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 EP disclosed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
EP-2931708-B1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2017-05-10 EP disclosed
EP-2225249-B1 PROCESS FOR THE PREPARATION OF A MACROCYCLE HOFFMANN LA ROCHE (CH) 2016-08-03 EP disclosed
EP-2225249-B1 PROCESS FOR THE PREPARATION OF A MACROCYCLE HOFFMANN LA ROCHE (CH) 2016-08-03 EP disclosed
CN-103987862-B Prediction HCV treats the SNP on No. 15 chromosome of replying F. HOFFMANN-LA ROCHE AG (CH) 2016-05-25 CN disclosed
EP-2785875-B1 A SINGLE NUCLEOTIDE POLYMORPHISM ON CHROMOSOME 15 THAT PREDICTS HCV TREATMENT RESPONSES HOFFMANN LA ROCHE (CH) 2016-04-27 EP disclosed
EP-2364310-B1 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
WO-2008070358-A2 N-CYCLOPROPYL-HYDROXYPROLINE-BASED TRIPEPTIDIC HEPATITIS C SERINE PROTEASE INHIBITORS CONTAINING AN ISOINDOLE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE OR PYRROLOPYRAZINE HETEROCYCLE IN THE SIDE CHAIN PHENOMIX CORPORATION (US) 2008-06-12 WO disclosed
EP-1924594-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2008-05-28 EP disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed
WO-2007133865-A2 HCV/HIV INHIBITORS AN THEIR USES NOVARTIS AG (CH) 2007-11-22 WO disclosed
WO-2007089618-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2007-08-09 WO disclosed
WO-2007044893-A2 COMPOUNDS AND METHODS FOR INHIBITING HEPATITIS C VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-19 WO disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 WO 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 (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-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS TRAP1 3893/4885DPP8 828/4885DPP9 1345/4885

“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.