SCHEMBL3055486

SCHEMBL3055486

[O]C(=O)N1Cc2cccc(F)c2C1

nearest known ligand 0.56

Predicted protein targets (top 17)

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 3/20 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
TIPARP Q7Z3E1 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 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 0.86 TRAP1 (0.56) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL497487 0.86 TRAP1 (0.56) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL8227303 0.84 TRAP1 (0.55) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL8404042 0.84 NOTUM (0.61) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL8207795 0.84 DPP8 (0.57) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL8217297 0.83 TRAP1 (0.53) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL6886590 0.81 DPP8 (0.54) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL8083813 0.80 DPP8 (0.67) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL3478866 0.80 DPP8 (0.60) TRAP1DPP8DPP9DPP7HSP90B1
SCHEMBL3429846 0.80 DPP8 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2066688-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 TRAP1 901/4885DPP8 907/4885DPP9 1218/4885

“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.