SCHEMBL8190778

SCHEMBL8190778

O=C1N[C@H](B(O)O)CCCCCCCCC[C@H](NCc2ccccc2F)C(=O)N2C[C@H](OC(=O)N3Cc4ccccc4C3)C[C@@H]12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ DPP4 P27487 1/20 0.30
▸ FAP Q12884 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL8182338 0.91 THRB (0.32) KMT2ADPP4FAPDPP8DPP9
SCHEMBL8190905 0.91 ALDH1A1 (0.32) KMT2ADPP4FAPDPP8DPP9
SCHEMBL8178947 0.90 CYP3A4 (0.36) KDM4ELMNANAMPTKMT2A
SCHEMBL8195289 0.90 MEN1 (0.34) KDM4EKMT2ADPP4FAPDPP8
SCHEMBL13336408 0.90 DPP8 (0.36) KDM4ELMNADPP4FAPDPP8
SCHEMBL8196647 0.90 EPHX2 (0.37) KMT2A
SCHEMBL8197204 0.89 DPP4 (0.30) DPP4FAPDPP8DPP9DPP7
SCHEMBL8196659 0.88 ROCK2 (0.34) KDM4ENAMPT
SCHEMBL8197308 0.87 XIAP (0.32) LMNAKMT2A
SCHEMBL8182060 0.87 FAP (0.34) TDP1NAMPTKMT2ADPP4FAP

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 TDP1 3661/4885KDM4E 3963/4885ATM 4423/4885

“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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