SCHEMBL8182338

SCHEMBL8182338

Cc1ccccc1CN[C@H]1CCCCCCCCC[C@@H](B(O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ EPHX2 P34913 2/20 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

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
SCHEMBL8197308 0.93 XIAP (0.32) KMT2AMEN1ALDH1A1
SCHEMBL8187946 0.93 DPP4 (0.30) DPP4FAPDPP8DPP9DPP7
SCHEMBL8178947 0.91 CYP3A4 (0.36) KMT2AMEN1ALDH1A1
SCHEMBL8190905 0.91 ALDH1A1 (0.32) KMT2AMEN1ALDH1A1DPP4FAP
SCHEMBL8190778 0.91 TDP1 (0.34) KMT2ADPP4FAPDPP8DPP9
SCHEMBL8195302 0.90 KDM4E (0.32) ALDH1A1DPP4FAPDPP8DPP9
SCHEMBL13336408 0.90 DPP8 (0.36) ALDH1A1DPP4FAPDPP8DPP9
SCHEMBL8196647 0.88 EPHX2 (0.37) KMT2AMEN1EPHX2
SCHEMBL8192435 0.88 GAA (0.35) THRBKMT2AMEN1
SCHEMBL8192438 0.87 FAP (0.34) ALDH1A1DPP4FAPDPP8DPP9

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 THRB 3567/4885KMT2A 4160/4885MEN1 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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