SCHEMBL29528

SCHEMBL29528

CCCCCOC(N)=S.NC(O)=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
NAAA Q02083 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42
EPHX1 P07099 1/20 0.41
TSHR P16473 3/20 0.39
HTR2C P28335 1/20 0.39
LPAR2 Q9HBW0 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5182546 0.98 CA12 (0.55) CA12CA1CA2CA9NAAA
SCHEMBL5556969 0.98 CA12 (0.55) CA12CA1CA2CA9NAAA
SCHEMBL27416532 0.98 CA12 (0.55) CA12CA1CA2CA9NAAA
SCHEMBL27958482 0.98 CA12 (0.55) CA12CA1CA2CA9NAAA
SCHEMBL22807088 0.98 CA12 (0.55) CA12CA1CA2CA9NAAA
SCHEMBL27879770 0.98 CA12 (0.55) CA12CA1CA2CA9NAAA
SCHEMBL5708958 0.98 CA12 (0.55) CA12CA1CA2CA9NAAA
Methane SCHEMBL11850443 0.96 CA12 (0.53) CA12CA1CA2CA9NAAA
SCHEMBL29282005 0.96 CA12 (0.53) CA12CA1CA2CA9NAAA
SCHEMBL447115 0.96 CA12 (0.53) CA12CA1CA2CA9NAAA

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 316 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
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
CN-115677890-A Dendritic fluorescent liquid crystal polymer with aggregation-induced emission characteristic and preparation method thereof 湖南理工学院 2023-02-03 CN 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-1997006830-A1 METHODS OF DIAGNOSTIC IMAGE ANALYSIS USING BIOCONJUGATES OF METAL COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS MONSANTO COMPANY (US) 1997-02-27 WO claimed
WO-1997006824-A2 BIOCONJUGATES OF MANGANESE COMPLEXES AND THEIR APPLICATION AS CATALYSTS MONSANTO COMPANY (US) 1997-02-27 WO claimed
EP-0758892-A1 METHODS OF USE FOR PEROXYNITRITE DECOMPOSITION CATALYSTS, PHARMACEUTICAL COMPOSITIONS THEREFOR MONSANTO COMPANY (US) 1997-02-26 EP claimed
EP-0756495-A1 DIAGNOSTIC IMAGE ANALYSIS WITH METAL COMPLEXES MONSANTO COMPANY (US) 1997-02-05 EP claimed
WO-1996040658-A1 PROCESS FOR PREPARING SUBSTITUTED POLYAZAMACROCYCLES MONSANTO COMPANY (US) 1996-12-19 WO claimed
WO-1995031197-A1 METHODS OF USE FOR PEROXYNITRITE DECOMPOSITION CATALYSTS, PHARMACEUTICAL COMPOSITIONS THEREFOR MONSANTO COMPANY (US) 1995-11-23 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
EP-0524161-A1 Manganese complexes of nitrogen containing macrocyclic ligands effective as catalysts for dismutating superoxide MONSANTO COMPANY (US) 1993-01-20 EP claimed
EP-0080409-B1 FLEXIBLE ELASTOMER COMPOSITION OF EPICHLOROHYDRINE Commissariat à l'Energie Atomique (FR) 1986-02-26 EP claimed
US-4414343-A Epichlorohydrin-based flexible elastomer composition COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1983-11-08 US 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 CA12 308/4885CA1 834/4885CA2 3964/4885
US-20230149358-A1 COMBINATION CANCER THERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX AND HORMONE THERAPY AGENT HDAC1, HDAC8, SIRT3 CA12 49/4885CA1 192/4885CA2 817/4885
US-20220227798-A1 MANUFACTURE METHOD FOR AQUEOUS FORMULATION OF MANGANESE-CONTAINING COORDINATION COMPLEX, FORMULATION, AND METHOD OF TREATMENT SOD1, MSH6, SLC30A6 CA12 131/4885CA1 159/4885CA2 163/4885
US-20230218633-A1 METHODS OF TREATING ORAL MUCOSITIS LPO, SOD3, MPO CA12 497/4885CA1 1182/4885CA2 877/4885
US-11612608-B2 Methods of treating oral mucositis LPO, SOD3, MPO CA12 497/4885CA1 1182/4885CA2 877/4885
US-20220118119-A1 COMBINATION CANCER IMMUNOTHERAPY WITH PENTAAZA MACROCYCLIC RING COMPLEX CD274, PDCD1, PDCD1LG2 CA12 453/4885CA1 1382/4885CA2 3460/4885

“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.