SCHEMBL29882

SCHEMBL29882

C=CCc1ccsc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.42
PTPRG P23470 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
AXL P30530 1/20 0.39
LMNA P02545 1/20 0.39
ABCC1 P33527 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
GRIK1 P39086 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35

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
SCHEMBL28804025 0.84 BCAT2 (0.42) KMT2APTGDRPTGDR2GABRA1GABRB2
SCHEMBL10768728 0.81 HDAC1 (0.38) KMT2A
SCHEMBL9321626 0.78 SMN1; SMN2 (0.45) LMNAKMT2A
SCHEMBL2065269 0.76 ABCC1 (0.50) PTPRCPTPRGPTPN2PTPN1AXL
SCHEMBL1401564 0.76 GPR35 (0.44) PTPRCPTPRGPTPN2PTPN1AXL
SCHEMBL10964733 0.76 PTPRC (0.44) PTPRCPTPRGPTPN2PTPN1AXL
SCHEMBL7556532 0.75 KDM4E (0.39) KMT2APTGDRPTGDR2GABRA1GABRB2
SCHEMBL4195246 0.75 GSK3B (0.44) PTPRCPTPRGPTPN2PTPN1AXL
SCHEMBL12077076 0.75 PTPN2 (0.43) PTPRCPTPRGPTPN2PTPN1AXL
SCHEMBL2779682 0.75 PTPN2 (0.43) PTPRCPTPRGPTPN2PTPN1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026273-A1 THERAPY FOR REDUCED OTOTOXICITY FROM CHEMOTHERAPEUTIC AGENT WITH PENTAAZA MACROCYCLIC RING COMPLEX GALERA LABS, LLC (US) 2024-02-01 WO claimed
US-20230218633-A1 METHODS OF TREATING ORAL MUCOSITIS GALERA LABS, LLC 2023-07-13 US claimed
CN-116390731-A Combined cancer therapy with pentaaza macrocyclic complexes and hormonal therapeutic agents 加莱拉实验室有限责任公司 2023-07-04 CN claimed
US-20230158042-A1 COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND HORMONE THERAPY AGENT BIOSSIL INC. (CA) 2023-05-25 US claimed
US-20230149358-A1 COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND HORMONE THERAPY AGENT BIOSSIL INC. (CA) 2023-05-18 US claimed
EP-4157242-A1 COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND HORMONE THERAPY AGENT Galera Labs, LLC (US) 2023-04-05 EP claimed
US-11612608-B2 Methods of treating oral mucositis GALERA LABS, LLC (US) 2023-03-28 US claimed
WO-2023009500-A1 PENTAAZA MACROCYCLIC RING COMPLEX FOR ENHANCED SURGICAL TREATMENT GALERA LABS, LLC (US) 2023-02-02 WO claimed
US-20220227798-A1 MANUFACTURE METHOD FOR AQUEOUS FORMULATION OF MANGANESE-CONTAINING COORDINATION COMPLEX, FORMULATION, AND METHOD OF TREATMENT GALERA LABS, LLC 2022-07-21 US claimed
US-20220118119-A1 COMBINATION CANCER IMMUNOTHERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX BIOSSIL INC. (CA) 2022-04-21 US claimed
WO-1996040658-A1 PROCESS FOR PREPARING SUBSTITUTED POLYAZAMACROCYCLES MONSANTO COMPANY (US) 1996-12-19 WO claimed
WO-1996039396-A1 MANGANESE OR IRON COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1996-12-12 WO claimed
JP-H08505622-A 1996-06-18 JP claimed
WO-1995031197-A1 METHODS OF USE FOR PEROXYNITRITE DECOMPOSITION CATALYSTS, PHARMACEUTICAL COMPOSITIONS THEREFOR MONSANTO COMPANY (US) 1995-11-23 WO claimed
WO-1995028968-A1 DIAGNOSTIC IMAGE ANALYSIS WITH METAL COMPLEXES MONSANTO COMPANY (US) 1995-11-02 WO claimed
EP-0679155-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE. MONSANTO CO (US) 1995-11-02 EP claimed
WO-1994015925-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1994-07-21 WO claimed
EP-0598753-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1994-06-01 EP claimed
WO-1993002090-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1993-02-04 WO claimed
EP-0524161-A1 Manganese complexes of nitrogen containing macrocyclic ligands effective as catalysts for dismutating superoxide MONSANTO COMPANY (US) 1993-01-20 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-20230158042-A1 COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND HORMONE THERAPY AGENT MC2R, GHRHR, GNRHR PTPRC 1263/4885PTPRG 1129/4885PTPN2 2663/4885
US-20230149358-A1 COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND HORMONE THERAPY AGENT HDAC1, HDAC8, SIRT3 PTPRC 3217/4885PTPRG 3896/4885PTPN2 3728/4885
US-20220227798-A1 MANUFACTURE METHOD FOR AQUEOUS FORMULATION OF MANGANESE-CONTAINING COORDINATION COMPLEX, FORMULATION, AND METHOD OF TREATMENT SOD1, MSH6, SLC30A6 PTPRC 3991/4885PTPRG 3916/4885PTPN2 4724/4885
US-20230218633-A1 METHODS OF TREATING ORAL MUCOSITIS LPO, SOD3, MPO PTPRC 2419/4885PTPRG 1767/4885PTPN2 4140/4885
US-11612608-B2 Methods of treating oral mucositis LPO, SOD3, MPO PTPRC 2419/4885PTPRG 1767/4885PTPN2 4140/4885
US-20220118119-A1 COMBINATION CANCER IMMUNOTHERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX CD274, PDCD1, PDCD1LG2 PTPRC 99/4885PTPRG 760/4885PTPN2 553/4885

“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.