Sugi Predict

Sugi Predict / Compounds / SCHEMBL3477097

SCHEMBL3477097

SCHEMBL3477097

C#CCCCCS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.42
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LYPLA1 O75608 1/20 0.34
▸ LYPLA2 O95372 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ LOX P28300 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
SCHEMBL13372421 0.92 — —
SCHEMBL6724766 0.82 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL3474802 0.81 — —
SCHEMBL777321 0.78 ALDH1A1 (0.52) ALDH1A1LMNATP53NLRP3KDM4E
SCHEMBL27535683 0.77 ALDH1A1 (0.45) ALDH1A1LMNATP53NLRP3LOX
SCHEMBL6724770 0.75 APP (0.44) ALDH1A1LMNACYP1A2CYP2D6MAPT
SCHEMBL31390822 0.75 NLRP3 (0.68) ALDH1A1LMNATP53NLRP3MAPT
SCHEMBL34468810 0.75 CYP1A2 (0.38) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL9185106 0.74 ALDH1A1 (0.50) ALDH1A1LMNATP53NLRP3KDM4E
SCHEMBL5461072 0.74 ALDH1A1 (0.50) ALDH1A1LMNATP53NLRP3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056788-A1 ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-05-20 — — WO disclosed
WO-2010056788-A1 ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-05-20 — — WO disclosed
US-20100035857-A1 ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-02-11 — — US disclosed
US-20100035857-A1 ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-02-11 — — US disclosed
US-20100035857-A1 ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-02-11 — — US disclosed
EP-2124549-A1 ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS Merck & Co., Inc. (US) 2009-12-02 — — EP disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 — — US disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 — — US disclosed
WO-2008085300-A1 ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO., INC. (US) 2008-07-17 — — WO disclosed
WO-2008085300-A1 ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO., INC. (US) 2008-07-17 — — 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-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds APOB, PCSK9, CYP46A1 ALDH1A1 1045/4885LMNA 1127/4885TP53 4712/4885
US-20100035857-A1 ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS NPC1L1, HMGCR, PCSK9 ALDH1A1 909/4885LMNA 840/4885TP53 4875/4885

“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.