SCHEMBL23398355

SCHEMBL23398355

CCCCCCCCSC(=S)SC(C)(C)C#N

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.31
CES1 P23141 4/20 0.31
CES2 O00748 3/20 0.31
PLA2G6 O60733 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACHE P22303 2/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL2593550 1.00 FAAH (0.31) FAAHCES1CES2PLA2G6GMNN
SCHEMBL2232709 0.93 NOS3 (0.35)
SCHEMBL3344976 0.85 TDP1 (0.31)
SCHEMBL18338077 0.85 NAAA (0.31)
SCHEMBL15669243 0.85 EPHX1 (0.34) FAAHCES1CES2PLA2G6GMNN
SCHEMBL28066542 0.84
SCHEMBL20317588 0.84
SCHEMBL20097741 0.82 HDAC3 (0.36) FAAHCES1CES2PLA2G6GMNN
SCHEMBL23398347 0.81 LMNA (0.36) HSD17B10
SCHEMBL17556641 0.81 LMNA (0.36) HSD17B10

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 FAAH 3083/4885CES1 1227/4885CES2 1206/4885

“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.