SCHEMBL1066873

SCHEMBL1066873

O=C(C(=O)c1cccs1)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 1.00
CES1 P23141 2/20 1.00
DAO P14920 1/20 0.68
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
ALDH1A1 P00352 4/20 0.62
LMNA P02545 3/20 0.62
POLB P06746 3/20 0.62
HDAC1 Q13547 1/20 0.62
HPGDS O60760 1/20 0.58
GSK3B P49841 1/20 0.58
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 3/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
KEAP1 Q14145 1/20 0.52
HTT P42858 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
SCHEMBL9148741 0.90 CES2 (0.81) CES2CES1DAORAB9ANPC1
SCHEMBL71555 0.87 CES2 (0.77) CES2CES1DAORAB9ANPC1
SCHEMBL14947051 0.87 CES2 (0.75) CES2CES1DAORAB9ANPC1
Ammonia Solution, Strong SCHEMBL11721426 0.85 CES2 (0.74) CES2CES1DAORAB9ANPC1
SCHEMBL1883541 0.85 CES2 (0.74) CES2CES1DAORAB9ANPC1
SCHEMBL4765889 0.85 CES2 (0.74) CES2CES1DAORAB9ANPC1
SCHEMBL2610951 0.85 CES2 (0.74) CES2CES1DAORAB9ANPC1
Water SCHEMBL27559900 0.85 CES2 (0.74) CES2CES1DAORAB9ANPC1
SCHEMBL8310773 0.85 CES2 (0.72) CES2CES1DAORAB9ANPC1
SCHEMBL11601470 0.84 CES2 (0.71) CES2CES1DAORAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025087819-A1 CATALYST AND METHOD FOR PRODUCING HYDROGEN BY PROTON REDUCTION RENER (FR) 2025-05-01 WO claimed
CN-116023294-A Preparation method and application of oxygen absorbing material ligand 威格科技(苏州)股份有限公司 2023-04-28 CN claimed
US-9206196-B1 Derivatives of benzoxazino quinoline, benzoxazino isoquinoline and processes for their preparation COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (US) 2015-12-08 US claimed
US-7973034-B2 Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2011-07-05 US claimed
WO-2025087819-A1 CATALYST AND METHOD FOR PRODUCING HYDROGEN BY PROTON REDUCTION RENER (FR) 2025-05-01 WO disclosed
WO-2025087819-A1 CATALYST AND METHOD FOR PRODUCING HYDROGEN BY PROTON REDUCTION RENER (FR) 2025-05-01 WO disclosed
US-12195450-B2 Small molecule neutral sphingomyelinase 2 (nSMase2) inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2025-01-14 US disclosed
WO-2023220463-A1 METHODS OF FORMING AN OBJECT IN A VOLUME OF A PHOTOHARDENABLE COMPOSITION QUADRATIC 3D, INC. (US) 2023-11-16 WO disclosed
CN-115869923-A Oxygen absorbing material, preparation method thereof and prepared adsorbing material capable of adsorbing oxygen and organic solvent simultaneously 威格科技(苏州)股份有限公司 2023-03-31 CN disclosed
WO-2022156793-A1 QUINOXALINE-BASED D-A-D NEAR-INFRARED TWO-REGION FLUORESCENT MOLECULE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2022-07-28 WO disclosed
US-20220119374-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (nSMase2) INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2022-04-21 US disclosed
US-20220117958-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2022-04-21 US disclosed
US-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections AXXIMA PHARMACEUTICAL AG. (DE) 2005-09-15 US disclosed
EP-1532118-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Axxima Pharmaceuticals Aktiengesellschaft (DE) 2005-05-25 EP disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
US-20050054691-A1 Carboxylesterase inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2005-03-10 US disclosed
WO-2005007099-A2 PKB INHIBITORS AS ANTI-TUMOR AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-27 WO disclosed
WO-2004096800-A2 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS NOVARTIS AG (CH) 2004-11-11 WO disclosed
US-6713781-B1 Organic light-emitting device having phenanthroline-fused phenazine CANON KABUSHIKI KAISHA (JP) 2004-03-30 US disclosed
WO-2004005264-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-01-15 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 (5 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-20050054691-A1 Carboxylesterase inhibitors CES1, CES2, BCHE CES2 2/4885CES1 1/4885DAO 302/4885
US-12195450-B2 Small molecule neutral sphingomyelinase 2 (nSMase2) inhibitors SMPD2, SPTLC2, SGMS2 CES2 246/4885CES1 191/4885DAO 3200/4885
US-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections CSNK1G1, CSNK1E, CSNK1D CES2 1576/4885CES1 188/4885DAO 1282/4885
US-20220119374-A1 SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (nSMase2) INHIBITORS SMPD2, SPTLC2, SGMS2 CES2 246/4885CES1 191/4885DAO 3200/4885
US-20220117958-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 ACSS2, ACSL3, ACSL1 CES2 595/4885CES1 159/4885DAO 2441/4885

“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.