Sugi Predict

Sugi Predict / Compounds / SCHEMBL2582992

SCHEMBL2582992

SCHEMBL2582992

COC(=O)CCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.67
▸ MAOA P21397 1/20 0.58
▸ MAOB P27338 1/20 0.58
▸ MEN1 O00255 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CA12 O43570 4/20 0.54
▸ CA1 P00915 4/20 0.54
▸ CA2 P00918 4/20 0.54
▸ CA9 Q16790 4/20 0.54
▸ CYP3A4 P08684 1/20 0.48
▸ EPHX2 P34913 5/20 0.48
▸ TPSAB1 Q15661 1/20 0.47
▸ TPSD1 Q9BZJ3 1/20 0.47
▸ TPSG1 Q9NRR2 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ EPHX1 P07099 1/20 0.46

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
SCHEMBL17485438 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1GAA
SCHEMBL16081806 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1GAA
SCHEMBL22276594 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1GAA
SCHEMBL22276612 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1GAA
SCHEMBL19078966 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1GAA
SCHEMBL25092096 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1GAA
SCHEMBL15373104 0.98 TDP1 (0.64) TDP1MAOAMAOBMEN1GAA
SCHEMBL14073950 0.94 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA
SCHEMBL30864499 0.94 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA
SCHEMBL3422201 0.93 TDP1 (0.61) TDP1MAOAMAOBMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283699-A Method for synthesizing fluoroalkyl substituted pyrrolidine 遵义医科大学 2023-06-23 — — CN claimed
CN-115819423-B PROTAC compound of adefovir or intermediate thereof, preparation method thereof and application of PROTAC compound in EV71 resistance 武汉大学 2024-11-22 — — CN disclosed
US-11746113-B2 Labelled cannabinergic ligands and related analogs MAKRIYANNIS ALEXANDROS (US) 2023-09-05 — — US disclosed
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 — — US disclosed
US-11325884-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2022-05-10 — — US disclosed
US-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs MAKRIYANNIS ALEXANDROS (US) 2021-09-30 — — US disclosed
US-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2021-02-25 — — US disclosed
US-10730826-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2020-08-04 — — US disclosed
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 — — WO disclosed
US-9943609-B2 Protein-polymer-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2018-04-17 — — US disclosed
US-5985826-A Methods of using hepatic-directed compounds in pretargeting strategies NEORX CORPORATION (US) 1999-11-16 — — US disclosed
US-5968477-A IMAGING AGENTS WITH SULFHYDRYL GROUPS AND HEXOSE GROUPS NEORX CORPORATION (US) 1999-10-19 — — US disclosed
EP-0918547-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1999-06-02 — — EP disclosed
US-5886143-A Hepatic-directed compounds and reagents for preparation thereof NEORX CORPORATION (US) 1999-03-23 — — US disclosed
EP-0799050-A4 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORP (US) 1998-06-03 — — EP disclosed
WO-1998004294-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1998-02-05 — — WO disclosed
EP-0799050-A1 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORPORATION (US) 1997-10-08 — — EP disclosed
EP-0794788-A1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORPORATION (US) 1997-09-17 — — EP disclosed
WO-1996017613-A1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORPORATION (US) 1996-06-13 — — WO disclosed
WO-1996017618-A1 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORPORATION (US) 1996-06-13 — — 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 (6 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-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP TDP1 1585/4885MAOA 2306/4885MAOB 2255/4885
US-11746113-B2 Labelled cannabinergic ligands and related analogs CNR1, CNR2, CHRND TDP1 4769/4885MAOA 1860/4885MAOB 580/4885
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP TDP1 1585/4885MAOA 2306/4885MAOB 2255/4885
US-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP TDP1 1585/4885MAOA 2306/4885MAOB 2255/4885
US-11325884-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP TDP1 1585/4885MAOA 2306/4885MAOB 2255/4885
US-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs CNR1, CNR2, CHRND TDP1 4769/4885MAOA 1832/4885MAOB 644/4885

“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.