Sugi Predict

Sugi Predict / Compounds / SCHEMBL272147

SCHEMBL272147

SCHEMBL272147

COC(=O)C[C@@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.46
▸ CA2 P00918 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CTSK P43235 8/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CTSS P25774 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ REN P00797 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36

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
SCHEMBL272149 1.00 CYP2D6 (0.46) CYP2D6CA2CA1CA7CTSK
SCHEMBL14489658 1.00 CYP2D6 (0.46) CYP2D6CA2CA1CA7CTSK
SCHEMBL29990821 0.91 CYP2D6 (0.55) CYP2D6CA2CA1CA7CTSK
SCHEMBL344731 0.91 CYP2D6 (0.55) CYP2D6CA2CA1CA7CTSK
SCHEMBL3689498 0.91 CYP2D6 (0.55) CYP2D6CA2CA1CA7CTSK
SCHEMBL168389 0.91 CYP2D6 (0.55) CYP2D6CA2CA1CA7CTSK
SCHEMBL4408873 0.91 CYP2D6 (0.50) CYP2D6CA2CA1CA7CTSK
SCHEMBL4747461 0.88 CYP2D6 (0.53) CYP2D6CA2CA1CA7CTSK
SCHEMBL18428106 0.88 CYP2D6 (0.55) CYP2D6CA2CA1CA7CTSK
SCHEMBL16285803 0.87 CYP2D6 (0.44) CYP2D6CA2CA1CA7CTSK

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118574834-A Fused tetracyclic compounds, compositions and uses thereof 泰博生物科技股份有限公司 2024-08-30 — — CN disclosed
US-20240140958-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF TABOMEDEX BIOSCIENCES INC (US) 2024-05-02 — — US disclosed
EP-4274833-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2023-11-15 — — EP disclosed
EP-3911645-B1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIV LILLE (FR) 2022-12-07 — — EP disclosed
EP-3911645-B1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIV LILLE (FR) 2022-12-07 — — EP disclosed
CN-115385919-A Synthetic method of sitagliptin 江苏阿尔法药业股份有限公司 2022-11-25 — — CN disclosed
EP-4069217-A1 MACROCYCLES COMPRISING A 4-AMIDO-2,4-PENTADIENOATE MOIETY FOR THE TREATMENT OF HYPOXIC CANCERS Aarhus Universitet (DK) 2022-10-12 — — EP disclosed
WO-2022150707-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2022-07-14 — — WO disclosed
WO-2022150707-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2022-07-14 — — WO disclosed
US-20220073475-A1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIVERSITÉ PARIS CITÉ (FR) 2022-03-10 — — US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 — — US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 — — US disclosed
WO-2009140765-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2009-11-26 — — WO disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 — — EP disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 — — US disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 — — WO disclosed
WO-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 — — 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 (4 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-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 CYP2D6 23/4885CA2 953/4885CA1 1805/4885
US-20220073475-A1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE HDAC5, HDAC6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP2D6 294/4885CA2 691/4885CA1 770/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE CYP2D6 1615/4885CA2 1046/4885CA1 149/4885
US-20240140958-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 CYP2D6 562/4885CA2 1503/4885CA1 2561/4885

“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.