SCHEMBL8196659

SCHEMBL8196659

O=C1N[C@H](B(O)O)CCCCCCCCC[C@H](NCc2cccc(F)c2)C(=O)N2C[C@H](OC(=O)N3Cc4ccccc4C3)C[C@@H]12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.34
▸ NAMPT P43490 3/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ TAS1R2 Q8TE23 1/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 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
SCHEMBL8197204 0.94 DPP4 (0.30) —
SCHEMBL8195289 0.92 MEN1 (0.34) KDM4EALDH1A1
SCHEMBL13336408 0.92 DPP8 (0.36) KDM4EALDH1A1
SCHEMBL8192435 0.92 GAA (0.35) KDM4E
SCHEMBL8192355 0.92 MEN1 (0.35) NAMPTTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL8190805 0.90 NAMPT (0.39) ROCK2NAMPT
SCHEMBL8193315 0.88 NAMPT (0.35) NAMPTKDM4E
SCHEMBL8195302 0.88 KDM4E (0.32) KDM4EALDH1A1HPGD
SCHEMBL8190778 0.88 TDP1 (0.34) NAMPTKDM4E
SCHEMBL8192389 0.87 ALDH1A1 (0.34) TAS1R3TAS1R1TAS1R2MAPTKDM4E

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 ROCK2 3714/4885NAMPT 856/4885MAPK1 2019/4885

“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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