SCHEMBL8197308

SCHEMBL8197308

Cc1ccc(CN[C@H]2CCCCCCCCC[C@@H](B(O)O)NC(=O)[C@@H]3C[C@@H](OC(=O)N4Cc5ccccc5C4)CN3C2=O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ CCR2 P41597 2/20 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 0.93 THRB (0.32) MEN1KMT2AALDH1A1
SCHEMBL8195302 0.90 KDM4E (0.32) LMNAALDH1A1
SCHEMBL8192435 0.90 GAA (0.35) XIAPMEN1KMT2ALMNA
SCHEMBL8187946 0.89 DPP4 (0.30) —
SCHEMBL8178947 0.88 CYP3A4 (0.36) MEN1KMT2ALMNAALDH1A1
SCHEMBL8190778 0.87 TDP1 (0.34) KMT2ALMNA
SCHEMBL8190905 0.87 ALDH1A1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL13336408 0.87 DPP8 (0.36) LMNAALDH1A1
SCHEMBL8197204 0.85 DPP4 (0.30) —
SCHEMBL8192438 0.85 FAP (0.34) ALDH1A1

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 XIAP 170/4885MEN1 2730/4885KMT2A 4160/4885

“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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