SCHEMBL8196647

SCHEMBL8196647

O=C1N[C@H](B(O)O)CCCCCCCCC[C@H](NCc2ccccc2OC(F)(F)F)C(=O)N2C[C@H](OC(=O)N3Cc4ccccc4C3)C[C@@H]12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP2J2 P51589 3/20 0.37
▸ TACR1 P25103 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SCN9A Q15858 3/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL8178947 0.91 CYP3A4 (0.36) CYP2C9TACR1MEN1KMT2ACYP3A4
SCHEMBL8190778 0.90 TDP1 (0.34) KMT2A
SCHEMBL8192303 0.89 NAMPT (0.37) SCN9A
SCHEMBL8190905 0.88 ALDH1A1 (0.32) MEN1KMT2A
SCHEMBL8182338 0.88 THRB (0.32) EPHX2MEN1KMT2A
SCHEMBL8190805 0.87 NAMPT (0.39) EPHX2SCN9A
SCHEMBL8193315 0.87 NAMPT (0.35) TACR1
SCHEMBL8195289 0.87 MEN1 (0.34) MEN1KMT2A
SCHEMBL13336408 0.86 DPP8 (0.36) —
SCHEMBL8187946 0.85 DPP4 (0.30) —

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 EPHX2 2384/4885CYP2C9 2742/4885CYP2J2 3140/4885

“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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