SCHEMBL13336408

SCHEMBL13336408

O=C1N[C@H](B(O)O)CCCCCCCCC[C@H](NCc2ccccc2)C(=O)N2C[C@H](OC(=O)N3Cc4ccccc4C3)C[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 3/20 0.36
▸ DPP9 Q86TI2 3/20 0.36
▸ DPP7 Q9UHL4 3/20 0.36
▸ F2 P00734 2/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.32
▸ ACE P12821 7/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ FAP Q12884 1/20 0.32
▸ RAMP1 O60894 2/20 0.31
▸ CALCRL Q16602 2/20 0.31
▸ BDKRB2 P30411 1/20 0.31
▸ ADAM10 O14672 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8195302 0.94 KDM4E (0.32) DPP8DPP9DPP7F2PRSS1
SCHEMBL8195289 0.94 MEN1 (0.34) DPP8DPP9DPP7F2PRSS1
SCHEMBL8193315 0.93 NAMPT (0.35) DPP8DPP9DPP7F2KDM4E
SCHEMBL8192389 0.93 ALDH1A1 (0.34) F2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8190850 0.92 TAAR1 (0.34) DPP8DPP9DPP7F2ACE
SCHEMBL8196659 0.92 ROCK2 (0.34) KDM4EALDH1A1
SCHEMBL8192435 0.92 GAA (0.35) F2KDM4ELMNA
SCHEMBL8192355 0.92 MEN1 (0.35) F2
SCHEMBL8197204 0.92 DPP4 (0.30) DPP8DPP9DPP7DPP4FAP
SCHEMBL8199602 0.91 NAMPT (0.36) DPP8DPP9DPP7F2ACE

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 2 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

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 DPP8 9/4885DPP9 86/4885DPP7 16/4885

“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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