SCHEMBL22280243

SCHEMBL22280243

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 19/20 1.00
GSR P00390 2/20 0.70
VCAM1 P19320 1/20 0.42
XDH P47989 1/20 0.39

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
SCHEMBL22280431 0.82 TXNRD1 (1.00) TXNRD1GSRVCAM1
SCHEMBL20476782 0.80 TXNRD1 (1.00) TXNRD1GSRXDH
SCHEMBL22280495 0.80 TXNRD1 (1.00) TXNRD1GSRXDH
SCHEMBL20476877 0.76 TXNRD1 (1.00) TXNRD1GSR
SCHEMBL8599154 0.74 TXNRD1 (0.61) TXNRD1GSRVCAM1XDH
SCHEMBL7744848 0.73 TXNRD1 (0.58) TXNRD1GSRVCAM1
SCHEMBL18508406 0.71 TXNRD1 (0.62) TXNRD1
SCHEMBL18508349 0.71 TXNRD1 (0.69) TXNRD1GSR
SCHEMBL28333004 0.71 TXNRD1 (0.55) TXNRD1GSRVCAM1
SCHEMBL18497232 0.70 TXNRD1 (0.56) TXNRD1GSRVCAM1XDH

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 546/4885VCAM1 4422/4885
US-20220119348-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, ABL1, IDH1 TXNRD1 549/4885GSR 546/4885VCAM1 4422/4885
US-11161815-B2 Hydrocarbylsulfonyl-substituted pyridines and their use in the treatment of cancer HCCS, ABL1, IDH1 TXNRD1 549/4885GSR 546/4885VCAM1 4422/4885

“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.