Sugi Predict

Sugi Predict / Compounds / SCHEMBL69064

SCHEMBL69064

SCHEMBL69064

O=C(O)c1cccc(SSc2cccc(C(=O)O)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ HPGD P15428 1/20 1.00
▸ HSD17B10 Q99714 1/20 1.00
▸ APEX1 P27695 1/20 0.63
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA6 P23280 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ KMO O15229 1/20 0.52
▸ DAO P14920 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NAPRT Q6XQN6 1/20 0.50
▸ UNG P13051 1/20 0.50
▸ FOLH1 Q04609 2/20 0.49
▸ AKR1C3 P42330 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ DDB1 Q16531 1/20 0.46
▸ CRBN Q96SW2 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
SCHEMBL29380400 1.00 CYP1A2 (1.00) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL28447751 0.92 CYP1A2 (0.85) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL9315801 0.92 CYP1A2 (0.85) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL2801844 0.91 CYP1A2 (0.84) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL9314163 0.87 HSD17B10 (0.76) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL2406839 0.86 CYP1A2 (0.76) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL31383422 0.86 CYP1A2 (0.76) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL8712530 0.84 HSD17B10 (0.73) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL9314800 0.84 CYP1A2 (0.71) CYP1A2CYP2C9HPGDHSD17B10APEX1
SCHEMBL9315156 0.84 CYP1A2 (0.71) CYP1A2CYP2C9HPGDHSD17B10APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111545222-B Co 9 S 8 S, N codoped core-shell structure carbonized nanocomposite material and synthetic method and application thereof 渤海大学 2022-09-27 — — CN claimed
CN-111545222-A Co9S8S, N codoped core-shell structure carbonized nanocomposite material and synthetic method and application thereof 渤海大学 2020-08-18 — — CN claimed
EP-2300244-B1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID PIRELLI (IT) 2011-12-14 — — EP claimed
EP-2300244-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID Pirelli Tyre S.P.A. (IT) 2011-03-30 — — EP claimed
WO-2010000294-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN OXETANE DERIVATIVE AND A CARBOXYLIC ACID PIRELLI TYRE S.P.A. (IT) 2010-01-07 — — WO claimed
US-5342724-A Preparing polyester from diol and diacid wherein one of the monomers has disulfuide linkage, reacting polyester with unsaturated monomer to create addition polymer blocks linked by sulfide group from dislufide linkage EASTMAN KODAK COMPANY (US) 1994-08-30 — — US claimed
CN-117867664-A On-DNA sulfimide compound and synthesis method thereof 康龙化成(宁波)科技发展有限公司 2024-04-12 — — CN disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 — — US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 — — US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 — — US disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
US-20230227536-A1 IMMUNOGENICITY-REDUCED LOW-MOLECULAR ANTIBODY AND METHOD FOR PRODUCING SAME KYOTO UNIVERSITY (JP) 2023-07-20 — — US disclosed
EP-4169940-A1 IMMUNOGENICITY-REDUCED LOW-MOLECULAR ANTIBODY AND METHOD FOR PRODUCING SAME Kyoto University (JP) 2023-04-26 — — EP disclosed
EP-1066290-A1 PYRROLO[1,2-a]PYRAZINE sPLA 2 INHIBITOR SHIONOGI & CO., LTD. (JP) 2001-01-10 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
WO-1999051605-A1 PYRROLO[1,2-a]PYRAZINE sPLA2 INHIBITOR SHIONOGI & CO., LTD. (JP) 1999-10-14 — — WO disclosed
US-5342724-A Preparing polyester from diol and diacid wherein one of the monomers has disulfuide linkage, reacting polyester with unsaturated monomer to create addition polymer blocks linked by sulfide group from dislufide linkage EASTMAN KODAK COMPANY (US) 1994-08-30 — — US disclosed
US-5274184-A Aryl sulphide, aryl sulphoxide and aryl sulphone compounds CASSELLA AKTIENGESELLSCHAFT (DE) 1993-12-28 — — US disclosed
EP-0480270-A1 Arylsulfides and process for their fabrication CASSELLA Aktiengesellschaft (DE) 1992-04-15 — — EP disclosed
US-4271310-A Method of determining cholinesterase activity and choline derivatives for use in the method KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1981-06-02 — — US 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 (1 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CYP1A2 4575/4885CYP2C9 4543/4885HPGD 1773/4885

“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.