SCHEMBL498453

SCHEMBL498453

O=C(O)C(S)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.65
CYP1A2 P05177 1/20 0.61
CPA3 P15088 2/20 0.59
FOLH1 Q04609 1/20 0.59
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
PTGS1 P23219 1/20 0.57
XIAP P98170 1/20 0.57
SLC7A5 Q01650 1/20 0.57
CPA1 P15085 4/20 0.56
ACE P12821 2/20 0.56
ACE2 Q9BYF1 2/20 0.56
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
SRR Q9GZT4 1/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52

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
SCHEMBL4838500 1.00 MME (0.65) MMECYP1A2CPA3FOLH1ALPI
Hydrochloric Acid SCHEMBL7054010 0.98 MME (0.62) MMECYP1A2CPA3FOLH1ALPI
SCHEMBL11213177 0.91 MME (0.53) MMECYP1A2CPA3FOLH1PTGS1
SCHEMBL3411005 0.84 MME (0.58) MMECYP1A2CPA3FOLH1ALPI
SCHEMBL25432477 0.83 EPHX1 (0.58) MMECYP1A2CPA3FOLH1ALPI
SCHEMBL1270436 0.83 SLC7A5 (0.60) MMESLC7A5CPA1ACEACE2
SCHEMBL9659004 0.83 PPARG (0.56) MME
SCHEMBL2456064 0.83 MME (0.56) MMECYP1A2CPA3FOLH1ALPI
SCHEMBL8240623 0.83 EPHX1 (0.58) MMECYP1A2CPA3FOLH1ALPI
SCHEMBL5609028 0.83 MME (0.56) MMECYP1A2CPA3FOLH1ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-20250027130-A1 Nucleic Acid Synthesis and Sequencing Using Tethered Nucleoside Triphosphates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-23 US disclosed
WO-2023164676-A1 METHODS TO GENERATE NOVEL ACYL-TRNA SPECIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-31 WO disclosed
WO-2022224035-A2 ANTI-GM1 ANTIBODY BINDING COMPOUNDS POLYNEURON PHARMACEUTICALS AG (CH) 2022-10-27 WO disclosed
CN-112592305-B Organic compound and preparation method and application thereof 中南大学 2022-10-18 CN disclosed
CN-114432181-A Quick-acting eye cream 玫琳凯有限公司 2022-05-06 CN disclosed
WO-2022082312-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-04-28 WO disclosed
US-4625056-A Process for producing benzene carboxylic acids from aromatic material utilizing an aliphatic organic acid agent OCCIDENTAL RESEARCH CORPORATION (US) 1986-11-25 US disclosed
EP-0193493-A2 Tricyclic thieno derivatives, their preparation and pharmaceutical compositions containing them Zyma SA (CH) 1986-09-03 EP disclosed
US-4546136-A Organotin-containing composition for the stabilization of polymers of vinyl chloride AKZO N.V. (NL) 1985-10-08 US disclosed
EP-0129264-A2 Organotin-containing composition for the stabilization of polymers or copolymers of vinyl chloride AKZO N.V. (NL) 1984-12-27 EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed
US-4248795-A BY OXIDATION OF THE CORRESPONDING SULFIDE WITH AN AQUEOUS PERACID SOLUTION UNION CARBIDE CORPORATION (US) 1981-02-03 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 (2 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 MME 1786/4885CYP1A2 1066/4885CPA3 871/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 MME 2323/4885CYP1A2 968/4885CPA3 2300/4885

“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.