SCHEMBL8199602

SCHEMBL8199602

O=C1N[C@H](B(O)O)CCCCCCCCC[C@H](NCCCc2ccccc2)C(=O)N2C[C@H](OC(=O)N3Cc4ccccc4C3)C[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.36
▸ BDKRB2 P30411 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ ACE P12821 7/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ FAP Q12884 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ DPP7 Q9UHL4 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
SCHEMBL8190850 0.96 TAAR1 (0.34) F2ACEDPP4FAPDPP8
SCHEMBL13336408 0.91 DPP8 (0.36) BDKRB2F2ACEDPP4FAP
SCHEMBL8189820 0.89 DPP4 (0.30) DPP4FAPDPP8DPP9DPP7
SCHEMBL8182060 0.87 FAP (0.34) NAMPTDPP4FAPDPP8DPP9
SCHEMBL8192438 0.86 FAP (0.34) NAMPTF2DPP4FAPDPP8
SCHEMBL8195289 0.85 MEN1 (0.34) F2DPP4FAPDPP8DPP9
SCHEMBL8195302 0.85 KDM4E (0.32) F2DPP4FAPDPP8DPP9
SCHEMBL8192355 0.85 MEN1 (0.35) NAMPTF2EPHX2
SCHEMBL8192435 0.85 GAA (0.35) F2
SCHEMBL8196659 0.85 ROCK2 (0.34) NAMPT

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 856/4885BDKRB2 1134/4885F2 666/4885

“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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