Sugi Predict

Sugi Predict / Compounds / SCHEMBL418939

SCHEMBL418939

SCHEMBL418939

CC(C)(C)OC(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 0.54
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ PSMB8 P28062 1/20 0.48
▸ NAMPT P43490 1/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MIF P14174 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ RECQL P46063 1/20 0.44

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
SCHEMBL20131942 0.92 HPGD (0.49) CYP17A1CA12CA1CA9PSMB8
Toluene SCHEMBL28684301 0.90 CYP17A1 (0.46) CYP17A1CA12CA1CA9PSMB8
SCHEMBL20132312 0.90 ALDH1A1 (0.51) CYP17A1CA12CA1CA9PSMB8
SCHEMBL13055402 0.87 CYP17A1 (0.59) CYP17A1CA12CA1CA9PSMB8
SCHEMBL27794510 0.87 CYP17A1 (0.51) CYP17A1CA12CA1CA9PSMB8
SCHEMBL1672145 0.85 CYP17A1 (0.49) CYP17A1CA12CA1CA9PSMB8
SCHEMBL2924493 0.85 CA12 (0.48) CYP17A1CA12CA1CA9PSMB8
SCHEMBL20132041 0.84 HDAC3 (0.52) CYP17A1CA12CA1CA9NAMPT
SCHEMBL3220737 0.84 CA1 (0.47) CYP17A1CA1NAMPTHDAC3HDAC1
SCHEMBL596259 0.83 HDAC3 (0.50) CYP17A1CA12CA1CA9PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745882-B Quinoline-malononitrile derivative fluorescent probe and preparation method and application thereof 东南大学 2025-03-25 — — CN claimed
US-12235217-B2 Diagnostic test kits for sample preparation and analysis SCANWELL HEALTH, INC. (US) 2025-02-25 — — US claimed
CN-115894833-B Porphyrin-based covalent organic polymer, preparation method and application thereof in detection of water content of organic solvent 天津科技大学 2024-12-13 — — CN claimed
CN-119081450-A Namic nanometer nonlinear optical material tightly coated by dopamine type organic polymer and preparation and application thereof 同济大学 2024-12-06 — — CN claimed
CN-115894833-A Porphyrin-based covalent organic polymer, preparation method and application thereof in detection of water content of organic solvent 天津科技大学 2023-04-04 — — CN claimed
CN-115745882-A Quinoline-malononitrile derivative fluorescent probe and preparation method and application thereof 东南大学 2023-03-07 — — CN claimed
EP-4058775-A1 DIAGNOSTIC TEST KITS FOR SAMPLE PREPARATION AND ANALYSIS Scanwell Health, Inc. (US) 2022-09-21 — — EP claimed
CN-114981637-A Diagnostic test kit for sample preparation and analysis 斯肯威尔健康公司 2022-08-30 — — CN claimed
US-20210231574-A1 DIAGNOSTIC TEST KITS FOR SAMPLE PREPARATION AND ANALYSIS SCANWELL HEALTH, INC. 2021-07-29 — — US claimed
WO-2021097343-A1 DIAGNOSTIC TEST KITS FOR SAMPLE PREPARATION AND ANALYSIS SCANWELL HEALTH, INC. (US) 2021-05-20 — — WO claimed
CN-106478576-A A kind of for detecting fluorescence probe of carboxy-lesterase and preparation method and application 华南理工大学 2017-03-08 — — CN claimed
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 — — US claimed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 — — EP claimed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 — — US claimed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 — — EP claimed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 — — US claimed
JP-2002539191-A — — 2002-11-19 — — JP claimed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 — — US claimed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 — — EP claimed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CYP17A1 2153/4885CA12 500/4885CA1 199/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CYP17A1 2153/4885CA12 500/4885CA1 199/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CYP17A1 2153/4885CA12 500/4885CA1 199/4885

“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.