Elesclomol

Elesclomol

SCHEMBL313745

CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 1.00
HSP90AB1 P08238 1/20 1.00
ALDH1A1 P00352 6/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CES1 P23141 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
EGFR P00533 2/20 0.39

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
Elesclomol SCHEMBL2819576 0.98 HSP90AA1 (0.97) HSP90AA1HSP90AB1ALDH1A1MAPTHPGD
SCHEMBL12354384 0.94 HSP90AA1 (0.88) HSP90AA1HSP90AB1ALDH1A1MAPTHPGD
SCHEMBL15044796 0.92 HSP90AA1 (0.85) HSP90AA1HSP90AB1ALDH1A1MAPTHPGD
SCHEMBL13943131 0.92 HSP90AA1 (0.84) HSP90AA1HSP90AB1ALDH1A1MAPTHPGD
SCHEMBL12808820 0.91 HSP90AA1 (0.84) HSP90AA1HSP90AB1ALDH1A1MAPTHPGD
SCHEMBL14295109 0.90 HSP90AA1 (0.82) HSP90AA1HSP90AB1ALDH1A1MAPTHPGD
SCHEMBL14301339 0.89 HSP90AA1 (0.80) HSP90AA1HSP90AB1ALDH1A1MAPTHPGD
SCHEMBL14301338 0.87 HSP90AA1 (0.76) HSP90AA1HSP90AB1ALDH1A1MAPTHPGD
SCHEMBL13042587 0.87 HSP90AA1 (0.77) HSP90AA1HSP90AB1ALDH1A1MAPTRAB9A
SCHEMBL13042596 0.87 HSP90AA1 (0.77) HSP90AA1HSP90AB1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515892-B1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2026-04-15 EP claimed
US-20260091021-A1 COMBINATION THERAPIES COMPRISING PANOBINOSTAT FOR THE TREATMENT OF CHOLANGIOCARCINOMA SEALD AS (NO) 2026-04-02 US claimed
US-20260085061-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2026-03-26 US claimed
US-20260041673-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD (US) 2026-02-12 US claimed
EP-4673152-A2 COMBINATIONS FOR TREATMENT OF PARKINSON'S DISEASE AND OTHER PRIMARY AND SECONDARY PARKINSONIAN DISORDERS Kenai Therapeutics Inc. (US) 2026-01-07 EP claimed
US-12509444-B2 Compounds and methods for CD73 modulation and indications therefor PLEXXIKON INC. (US) 2025-12-30 US claimed
WO-2025260130-A1 COMPOUNDS AND USES THEREOF THE UNIVERSITY OF MELBOURNE (AU) 2025-12-26 WO claimed
EP-4661876-A1 METABOLIC INHIBITORS AND METHODS OF MAKING AND USING THEREOF University of Miami (US) 2025-12-17 EP claimed
EP-4654970-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-12-03 EP claimed
EP-4654972-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-12-03 EP claimed
WO-2022240966-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR OPNA IMMUNO-ONCOLOGY SA (CH) 2022-11-17 WO claimed
CN-115298180-A Compounds for treating or inhibiting recurrence of acute myeloid leukemia 富雷旭医疗有限责任公司 2022-11-04 CN claimed
WO-2022200433-A1 IMIDAZO[1,2-B]PYRIDAZINE BASED TRICYCLIC COMPOUNDS AS INHIBITORS OF HASPIN AND THERAPEUTIC USES THEREOF Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2022-09-29 WO claimed
US-11446287-B2 Compounds and methods for EP300 or CBP modulation and indications therefor OPNA IMMUNO-ONCOLOGY SA (CH) 2022-09-20 US claimed
CN-115054592-A Application of compound in preparation of medicine for treating proliferative hepatocellular carcinoma 复旦大学附属中山医院 2022-09-16 CN claimed
WO-2022180150-A1 IMIDAZO[1,2-A]PYRAZINES AS INHIBITORS OF HASPIN AND THERAPEUTIC USES THEREOF Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2022-09-01 WO claimed
EP-4027996-A1 COMBINATION THERAPIES COMPRISING PANOBINOSTAT FOR THE TREATMENT OF CHOLANGIOCARCINOMA Seald AS (NO) 2022-07-20 EP claimed
US-20220144805-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2022-05-12 US claimed
WO-2022061251-A1 COMPOUNDS AND METHODS FOR KRAS MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2022-03-24 WO claimed
EP-3953351-A1 CONDENSED AZINES FOR EP300 OR CBP MODULATION AND INDICATIONS THEREFOR Plexxikon Inc. (US) 2022-02-16 EP 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 (6 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-20260085061-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS PDK1, PDK2, PDK4 HSP90AA1 939/4885HSP90AB1 634/4885ALDH1A1 629/4885
US-20260041673-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE GFRA3, IL6ST, GFRA1 HSP90AA1 2073/4885HSP90AB1 1512/4885ALDH1A1 25/4885
US-12509444-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ADORA1, ADORA2A HSP90AA1 3327/4885HSP90AB1 3043/4885ALDH1A1 114/4885
US-11446287-B2 Compounds and methods for EP300 or CBP modulation and indications therefor EP300, CREBBP, HDAC11 HSP90AA1 2040/4885HSP90AB1 1944/4885ALDH1A1 2653/4885
US-20260091021-A1 COMBINATION THERAPIES COMPRISING PANOBINOSTAT FOR THE TREATMENT OF CHOLANGIOCARCINOMA PLK1, BID, ABCB1 HSP90AA1 1705/4885HSP90AB1 553/4885ALDH1A1 1221/4885
US-20220144805-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A HSP90AA1 3589/4885HSP90AB1 3284/4885ALDH1A1 208/4885

“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.