SCHEMBL8192435

SCHEMBL8192435

Cc1cccc(CN[C@H]2CCCCCCCCC[C@@H](B(O)O)NC(=O)[C@@H]3C[C@@H](OC(=O)N4Cc5ccccc5C4)CN3C2=O)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ XIAP P98170 1/20 0.30
▸ BIRC2 Q13490 1/20 0.30
▸ LMNA P02545 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
SCHEMBL8195302 0.92 KDM4E (0.32) GAAKDM4EF2LMNA
SCHEMBL13336408 0.92 DPP8 (0.36) KDM4EF2LMNA
SCHEMBL8196659 0.92 ROCK2 (0.34) KDM4E
SCHEMBL8192355 0.92 MEN1 (0.35) MEN1KMT2APOLBTP53F2
SCHEMBL8197308 0.90 XIAP (0.32) MEN1KMT2AXIAPLMNA
SCHEMBL8187946 0.89 DPP4 (0.30) —
SCHEMBL8197204 0.89 DPP4 (0.30) —
SCHEMBL8190805 0.89 NAMPT (0.39) —
SCHEMBL8192389 0.88 ALDH1A1 (0.34) MEN1KMT2APOLBKDM4EF2
SCHEMBL8195289 0.88 MEN1 (0.34) THRBMEN1KMT2APOLBKDM4E

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 GAA 383/4885THRB 3567/4885MEN1 2730/4885

“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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