Sugi Predict

Sugi Predict / Compounds / SCHEMBL22697392

SCHEMBL22697392

SCHEMBL22697392

COC(=O)c1ccc(-c2ccc(Oc3cc4c(cc3OC)CCN[C@]4(C)CC(=O)Nc3nccs3)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 4/20 0.47
▸ MAP1LC3B Q9GZQ8 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NR2E3 Q9Y5X4 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL22687424 0.95 PCSK9 (0.47) PCSK9MAP1LC3BALDH1A1SMN1; SMN2LMNA
SCHEMBL20001132 0.95 PCSK9 (0.47) PCSK9MAP1LC3BALDH1A1SMN1; SMN2LMNA
SCHEMBL20001084 0.93 PCSK9 (0.43) PCSK9MAP1LC3BALDH1A1SMN1; SMN2LMNA
SCHEMBL30228569 0.93 PCSK9 (0.43) PCSK9MAP1LC3BALDH1A1SMN1; SMN2LMNA
SCHEMBL22687406 0.92 PCSK9 (0.49) PCSK9MAP1LC3BALDH1A1SMN1; SMN2LMNA
SCHEMBL20000920 0.92 PCSK9 (0.49) PCSK9MAP1LC3BALDH1A1SMN1; SMN2LMNA
SCHEMBL22697379 0.92 PCSK9 (0.49) PCSK9MAP1LC3BALDH1A1SMN1; SMN2LMNA
SCHEMBL30228883 0.91 PCSK9 (0.48) PCSK9MAP1LC3BALDH1A1SMN1; SMN2LMNA
SCHEMBL20001161 0.91 PCSK9 (0.48) PCSK9MAP1LC3BALDH1A1SMN1; SMN2LMNA
SCHEMBL20001062 0.91 PCSK9 (0.47) PCSK9MAP1LC3BALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2259/4885ALDH1A1 3833/4885
US-11008313-B2 Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders PCSK9, PCSK7, LDLR PCSK9 1/4885MAP1LC3B 2190/4885ALDH1A1 3915/4885

“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.