SCHEMBL8192303

SCHEMBL8192303

O=C1N[C@H](B(O)O)CCCCCCCCC[C@H](NCc2ccc(OC(F)(F)F)cc2)C(=O)N2C[C@H](OC(=O)N3Cc4ccccc4C3)C[C@@H]12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.37
▸ LIPE Q05469 1/20 0.35
▸ BCHE P06276 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ TAOK1 Q7L7X3 2/20 0.33
▸ TAOK3 Q9H2K8 2/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ SCN9A Q15858 4/20 0.32
▸ SCN5A Q14524 3/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8190805 0.93 NAMPT (0.39) NAMPTBACE1SCN9A
SCHEMBL8193315 0.92 NAMPT (0.35) NAMPTBCHEACHEBACE1MAPK10
SCHEMBL8192389 0.91 ALDH1A1 (0.34) KDM4E
SCHEMBL8195289 0.91 MEN1 (0.34) LIPEKDM4E
SCHEMBL13336408 0.91 DPP8 (0.36) KDM4E
SCHEMBL8195302 0.90 KDM4E (0.32) KDM4E
SCHEMBL8196647 0.89 EPHX2 (0.37) SCN9A
SCHEMBL8197204 0.88 DPP4 (0.30) —
SCHEMBL8196659 0.86 ROCK2 (0.34) NAMPTKDM1AKDM4E
SCHEMBL8190778 0.85 TDP1 (0.34) NAMPTKDM4E

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-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2010-05-13 — — US disclosed
US-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2010-05-13 — — US disclosed
WO-2008070733-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2008-06-12 — — 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-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, HPN, PEPD NAMPT 856/4885LIPE 366/4885BCHE 165/4885

“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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