SCHEMBL8190905

SCHEMBL8190905

O=C1N[C@H](B(O)O)CCCCCCCCC[C@H](NCc2ccccc2Cl)C(=O)N2C[C@H](OC(=O)N3Cc4ccccc4C3)C[C@@H]12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ 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
▸ TP53 P04637 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
SCHEMBL8190778 0.91 TDP1 (0.34) KMT2ADPP4FAPDPP8DPP9
SCHEMBL8182338 0.91 THRB (0.32) ALDH1A1MEN1KMT2ADPP4FAP
SCHEMBL8178947 0.90 CYP3A4 (0.36) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL13336408 0.90 DPP8 (0.36) ALDH1A1HTTDPP4FAPDPP8
SCHEMBL8196647 0.88 EPHX2 (0.37) MEN1KMT2A
SCHEMBL8192355 0.88 MEN1 (0.35) MEN1KMT2ATP53
SCHEMBL8197308 0.87 XIAP (0.32) ALDH1A1MEN1KMT2A
SCHEMBL8182060 0.87 FAP (0.34) ALDH1A1MEN1KMT2ADPP4FAP
SCHEMBL8187946 0.87 DPP4 (0.30) DPP4FAPDPP8DPP9DPP7
SCHEMBL8195289 0.87 MEN1 (0.34) ALDH1A1NPC1MEN1KMT2ADPP4

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 2640/4885TSHR 3944/4885ALOX15 1149/4885

“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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