Sugi Predict

Sugi Predict / Compounds / SCHEMBL7362291

SCHEMBL7362291

SCHEMBL7362291

CN1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL12084380 1.00 HSD17B10 (0.42) HSD17B10CASP3HRH3CYP3A4CYP2D6
SCHEMBL25730353 0.95 HPGD (0.41) HSD17B10CASP3HRH3CYP3A4CYP2D6
SCHEMBL17595517 0.95 HPGD (0.41) HSD17B10CASP3HRH3CYP3A4CYP2D6
SCHEMBL17595518 0.95 HPGD (0.41) HSD17B10CASP3HRH3CYP3A4CYP2D6
SCHEMBL27816157 0.89 HRH3 (0.41) HSD17B10CASP3HRH3HPGDSMN1; SMN2
SCHEMBL18797761 0.84 CYP3A4 (0.38) HSD17B10CYP3A4CYP2D6LMNAALDH1A1
SCHEMBL12632667 0.82 HPGD (0.40) HSD17B10CASP3HPGDSMN1; SMN2EPHX1
SCHEMBL31016714 0.81 HSD17B10 (0.42) HSD17B10CASP3HRH3HPGDROCK2
SCHEMBL14938657 0.81 CASP3 (0.43) HSD17B10CASP3HRH3HPGDROCK2
SCHEMBL8490471 0.81 HSD17B10 (0.42) HSD17B10CASP3HRH3HPGDROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AZORA THERAPEUTICS, INC. (US) 2023-12-05 — — US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 — — US disclosed
US-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-09-28 — — US disclosed
US-20230227408-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AZORA THERAPEUTICS, INC. 2023-07-20 — — US disclosed
EP-3929188-A1 PD-L1 ANTAGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-12-29 — — EP disclosed
CN-107108694-A Targeted delivery of tertiary amine-containing drug substances 西雅图基因公司 2017-08-29 — — CN disclosed
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-09 — — US disclosed
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 — — US disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 — — US disclosed
US-8039623-B2 Peptidomimetics compound; viricides; interference in life cycle og hepatitis c virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 — — US disclosed
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2010-07-08 — — US disclosed
US-7683033-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 — — US disclosed
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 — — US disclosed
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease PITLIK JANOS 2007-12-20 — — US disclosed
US-7273885-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-25 — — US disclosed
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2007-07-12 — — US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 — — US disclosed
US-6271252-B1 ASTHMA THERAPY, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS,MULTIPLE SCLEROSIS, AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-08-07 — — US disclosed
EP-1033983-A1 CYCLIC AMINO ACID DERIVATIVES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2000-09-13 — — EP disclosed
WO-1999026615-A1 CYCLIC AMINO ACID DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 — — 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 (9 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-20230227408-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AHR, ARNT, NR4A1 HSD17B10 339/4885CASP3 3852/4885HRH3 95/4885
US-20070292933-A1 Inhibitors of serine proteases, particular HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 HSD17B10 1641/4885CASP3 458/4885HRH3 3684/4885
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AHR, ARNT, NR4A1 HSD17B10 339/4885CASP3 3852/4885HRH3 95/4885
US-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLB, POLH HSD17B10 174/4885CASP3 3481/4885HRH3 1542/4885
US-20100173851-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 HSD17B10 1669/4885CASP3 403/4885HRH3 3614/4885
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 HSD17B10 1474/4885CASP3 706/4885HRH3 3951/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS HSD17B10 2690/4885CASP3 1508/4885HRH3 994/4885
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 HSD17B10 1749/4885CASP3 301/4885HRH3 3241/4885
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 HSD17B10 1749/4885CASP3 301/4885HRH3 3241/4885

“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.