SCHEMBL23398358

SCHEMBL23398358

CCCCCCCCCCCCCCCCCCOc1ccc(S)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.66
LTA4H P09960 5/20 0.58
TP53 P04637 2/20 0.58
TSHR P16473 1/20 0.58
PLA2G4B P0C869 4/20 0.56
RARB P10826 3/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PLA2G4A P47712 1/20 0.50

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
SCHEMBL10989617 1.00 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL1402391 1.00 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL11410844 1.00 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL6741884 1.00 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL1402315 1.00 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2556965 1.00 NR5A1 (0.66) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2091080 0.98 NR5A1 (0.62) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL10528088 0.94 RARB (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL10528469 0.94 RARB (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL10525853 0.94 RARB (0.61) NR5A1LTA4HTP53TSHRPLA2G4B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387369-A1 Prooxidative chain-transfer agents for use in the treatment of malignant tumour or infectious diseases UNIVERSITÄTSMEDIZIN DER JOHANNES GUTENBERG-UNIVERSITÄT MAINZ (DE) 2022-12-08 US claimed
EP-4065095-A1 PROOXIDATIVE CHAIN-TRANSFER AGENTS FOR USE IN THE TREATMENT OF MALIGNANT TUMOUR OR INFECTIOUS DISEASES Universitätsmedizin der Johannes Gutenberg-Universität Mainz (DE) 2022-10-05 EP claimed
WO-2021105435-A1 PROOXIDATIVE CHAIN-TRANSFER AGENTS FOR USE IN THE TREATMENT OF MALIGNANT TUMOUR OR INFECTIOUS DISEASES UNIVERSITÄTSMEDIZIN DER JOHANNES GUTENBERG-UNIVERSITÄT MAINZ (DE) 2021-06-03 WO claimed
EP-3827816-A1 PROOXIDATIVE CHAIN-TRANSFER AGENTS FOR USE IN THE TREATMENT OF MALIGNANT TUMOUR OR INFECTIOUS DISEASES Universitätsmedizin der Johannes Gutenberg-Universität Mainz (DE) 2021-06-02 EP claimed
US-20220387369-A1 Prooxidative chain-transfer agents for use in the treatment of malignant tumour or infectious diseases UNIVERSITÄTSMEDIZIN DER JOHANNES GUTENBERG-UNIVERSITÄT MAINZ (DE) 2022-12-08 US disclosed
EP-4065095-A1 PROOXIDATIVE CHAIN-TRANSFER AGENTS FOR USE IN THE TREATMENT OF MALIGNANT TUMOUR OR INFECTIOUS DISEASES Universitätsmedizin der Johannes Gutenberg-Universität Mainz (DE) 2022-10-05 EP disclosed
WO-2021105435-A1 PROOXIDATIVE CHAIN-TRANSFER AGENTS FOR USE IN THE TREATMENT OF MALIGNANT TUMOUR OR INFECTIOUS DISEASES UNIVERSITÄTSMEDIZIN DER JOHANNES GUTENBERG-UNIVERSITÄT MAINZ (DE) 2021-06-03 WO disclosed
EP-3827816-A1 PROOXIDATIVE CHAIN-TRANSFER AGENTS FOR USE IN THE TREATMENT OF MALIGNANT TUMOUR OR INFECTIOUS DISEASES Universitätsmedizin der Johannes Gutenberg-Universität Mainz (DE) 2021-06-02 EP 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 (1 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-20220387369-A1 Prooxidative chain-transfer agents for use in the treatment of malignant tumour or infectious diseases SLC25A1, SLC19A2, SLC25A21 NR5A1 2276/4885LTA4H 419/4885TP53 1009/4885

“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.