Sugi Predict

Sugi Predict / Compounds / SCHEMBL20001067

SCHEMBL20001067

SCHEMBL20001067

COCCOc1cc2c(cc1Oc1ccc(-c3ccc(C(=O)O)cc3)c(F)c1)[C@@](C)(CC(=O)Nc1nccs1)NCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 4/20 0.47
▸ MAP1LC3B Q9GZQ8 4/20 0.47
▸ RARG P13631 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GCK P35557 3/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL22687386 1.00 PCSK9 (0.47) PCSK9MAP1LC3BRARGALDH1A1SMN1; SMN2
SCHEMBL22687424 0.94 PCSK9 (0.47) PCSK9MAP1LC3BALDH1A1SMN1; SMN2NPC1
SCHEMBL20001132 0.94 PCSK9 (0.47) PCSK9MAP1LC3BALDH1A1SMN1; SMN2NPC1
SCHEMBL19995782 0.93 PCSK9 (0.47) PCSK9MAP1LC3BRARGALDH1A1SMN1; SMN2
SCHEMBL19995779 0.93 PCSK9 (0.47) PCSK9MAP1LC3BRARGALDH1A1SMN1; SMN2
SCHEMBL22687427 0.91 PCSK9 (0.51) PCSK9MAP1LC3BALDH1A1SMN1; SMN2NPC1
SCHEMBL20001022 0.91 PCSK9 (0.51) PCSK9MAP1LC3BALDH1A1SMN1; SMN2NPC1
SCHEMBL20001148 0.91 PCSK9 (0.42) PCSK9MAP1LC3BALDH1A1SMN1; SMN2NPC1
SCHEMBL22687384 0.91 PCSK9 (0.42) PCSK9MAP1LC3BALDH1A1SMN1; SMN2NPC1
SCHEMBL19995729 0.90 PCSK9 (0.43) PCSK9MAP1LC3BALDH1A1SMN1; SMN2NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515891-B1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS MERCK SHARP & DOHME LLC (US) 2023-03-08 — — EP disclosed
US-11008313-B2 Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders MERCK SHARP & DOHME CORP. (US) 2021-05-18 — — US disclosed
US-11008313-B2 Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders MERCK SHARP & DOHME CORP. (US) 2021-05-18 — — US disclosed
US-20200369657-A1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS MERCK SHARP & DOHME CORP. (US) 2020-11-26 — — US disclosed
US-20200369657-A1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS MERCK SHARP & DOHME CORP. (US) 2020-11-26 — — US disclosed
WO-2018057409-A1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS MERCK SHARP & DOHME CORP. (US) 2018-03-29 — — 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 (2 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-20200369657-A1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS PCSK9, PCSK7, LDLR PCSK9 1/4885MAP1LC3B 2259/4885RARG 2003/4885
US-11008313-B2 Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders PCSK9, PCSK7, LDLR PCSK9 1/4885MAP1LC3B 2190/4885RARG 2042/4885

“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.