SCHEMBL8195289

SCHEMBL8195289

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ F2 P00734 2/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ DPP8 Q6V1X1 3/20 0.31
▸ DPP9 Q86TI2 3/20 0.31
▸ DPP7 Q9UHL4 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ FAP Q12884 1/20 0.30
▸ LIPE Q05469 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
SCHEMBL13336408 0.94 DPP8 (0.36) ALDH1A1F2PRSS1DPP8DPP9
SCHEMBL8197204 0.94 DPP4 (0.30) DPP8DPP9DPP7DPP4FAP
SCHEMBL8193315 0.93 NAMPT (0.35) F2DPP8DPP9DPP7KDM4E
SCHEMBL8195302 0.93 KDM4E (0.32) ALDH1A1F2PRSS1DPP8DPP9
SCHEMBL8196659 0.92 ROCK2 (0.34) ALDH1A1KDM4E
SCHEMBL8192389 0.91 ALDH1A1 (0.34) MEN1NPC1KMT2AALDH1A1POLB
SCHEMBL8192303 0.91 NAMPT (0.37) KDM4ELIPE
SCHEMBL8190778 0.90 TDP1 (0.34) KMT2ADPP8DPP9DPP7KDM4E
SCHEMBL8192355 0.88 MEN1 (0.35) MEN1KMT2APOLBF2
SCHEMBL8192435 0.88 GAA (0.35) MEN1KMT2APOLBF2KDM4E

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 MEN1 2730/4885NPC1 534/4885KMT2A 4160/4885

“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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