SCHEMBL8193315

SCHEMBL8193315

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.35
▸ TEAD1 P28347 1/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ CCR2 P41597 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ MAPK10 P53779 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 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
SCHEMBL8195289 0.93 MEN1 (0.34) F2FAPDPP8DPP9DPP7
SCHEMBL13336408 0.93 DPP8 (0.36) F2FAPDPP8DPP9DPP7
SCHEMBL8192303 0.92 NAMPT (0.37) NAMPTCCR2BCHEACHEBACE1
SCHEMBL8195302 0.91 KDM4E (0.32) F2FAPDPP8DPP9DPP7
SCHEMBL8192389 0.90 ALDH1A1 (0.34) F2KDM4E
SCHEMBL8197204 0.89 DPP4 (0.30) FAPDPP8DPP9DPP7
SCHEMBL8196659 0.88 ROCK2 (0.34) NAMPTKDM4E
SCHEMBL8190805 0.88 NAMPT (0.39) NAMPTBACE1
SCHEMBL8190778 0.87 TDP1 (0.34) NAMPTFAPDPP8DPP9DPP7
SCHEMBL8196647 0.87 EPHX2 (0.37) TACR1

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 856/4885TEAD1 4517/4885TACR1 1114/4885

“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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