SCHEMBL22280495

SCHEMBL22280495

CCCCCCS(=O)(=O)c1nc(OC)ccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 20/20 1.00
GSR P00390 1/20 0.70
XDH P47989 1/20 0.59

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
SCHEMBL20476782 1.00 TXNRD1 (1.00) TXNRD1GSRXDH
SCHEMBL20476835 0.86 TXNRD1 (1.00) TXNRD1XDH
SCHEMBL28478545 0.86 TXNRD1 (0.77) TXNRD1XDH
SCHEMBL20476865 0.85 TXNRD1 (1.00) TXNRD1
SCHEMBL22280582 0.84 TXNRD1 (1.00) TXNRD1XDH
SCHEMBL20471813 0.83 TXNRD1 (0.75) TXNRD1XDH
SCHEMBL20471645 0.82 TXNRD1 (0.73) TXNRD1XDH
SCHEMBL22280431 0.82 TXNRD1 (1.00) TXNRD1GSR
SCHEMBL28475719 0.82 TXNRD1 (0.73) TXNRD1XDH
SCHEMBL22280585 0.82 TXNRD1 (1.00) TXNRD1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119348-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER OBLIQUE THERAPEUTICS AB (SE) 2022-04-21 US disclosed
US-11161815-B2 Hydrocarbylsulfonyl-substituted pyridines and their use in the treatment of cancer OBLIQUE THERAPEUTICS AB (SE) 2021-11-02 US disclosed
US-20200239417-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER OBLIQUE THERAPEUTICS AB (SE) 2020-07-30 US 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 (3 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-20200239417-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, ABL1, IDH1 TXNRD1 549/4885GSR 546/4885XDH 154/4885
US-20220119348-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, ABL1, IDH1 TXNRD1 549/4885GSR 546/4885XDH 154/4885
US-11161815-B2 Hydrocarbylsulfonyl-substituted pyridines and their use in the treatment of cancer HCCS, ABL1, IDH1 TXNRD1 549/4885GSR 546/4885XDH 154/4885

“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.