SCHEMBL8192389

SCHEMBL8192389

COc1ccc(CN[C@H]2CCCCCCCCC[C@@H](B(O)O)NC(=O)[C@@H]3C[C@@H](OC(=O)N4Cc5ccccc5C4)CN3C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 5/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.31

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 0.93 KDM4E (0.32) ALDH1A1KDM4ELMNAHPGDF2
SCHEMBL13336408 0.93 DPP8 (0.36) ALDH1A1KDM4ELMNASMN1; SMN2F2
SCHEMBL8195289 0.91 MEN1 (0.34) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL8192303 0.91 NAMPT (0.37) KDM4E
SCHEMBL8193315 0.90 NAMPT (0.35) KDM4EF2
SCHEMBL8178947 0.89 CYP3A4 (0.36) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL8192435 0.88 GAA (0.35) KDM4ELMNAKMT2AMEN1POLB
SCHEMBL8197204 0.88 DPP4 (0.30) —
SCHEMBL8182338 0.87 THRB (0.32) ALDH1A1KMT2AMEN1
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 ALDH1A1 2640/4885KDM4E 3963/4885LMNA 2341/4885

“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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