SCHEMBL8178947

SCHEMBL8178947

COc1ccccc1CN[C@H]1CCCCCCCCC[C@@H](B(O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32

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 0.91 THRB (0.32) ALDH1A1KMT2AMEN1
SCHEMBL8196647 0.91 EPHX2 (0.37) CYP3A4CYP2C9CYP2C19TACR1KMT2A
SCHEMBL8190905 0.90 ALDH1A1 (0.32) ALDH1A1TP53KMT2AHPGDMEN1
SCHEMBL8190778 0.90 TDP1 (0.34) KDM4ENAMPTLMNAKMT2A
SCHEMBL8192389 0.89 ALDH1A1 (0.34) KDM4EALDH1A1USP2LMNAKMT2A
SCHEMBL13336408 0.88 DPP8 (0.36) KDM4EALDH1A1LMNA
SCHEMBL8197308 0.88 XIAP (0.32) ALDH1A1LMNAKMT2AMEN1
SCHEMBL8195289 0.87 MEN1 (0.34) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL8195302 0.87 KDM4E (0.32) CYP3A4CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL8187946 0.87 DPP4 (0.30) —

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 CYP3A4 1159/4885CYP2C9 2742/4885CYP2C19 2796/4885

“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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