SCHEMBL22280581

SCHEMBL22280581

O=[N+]([O-])c1ccc(Cl)nc1S(=O)(=O)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 18/20 1.00
GSR P00390 3/20 1.00
ALDH1A1 P00352 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
HIF1A Q16665 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL20476877 0.80 TXNRD1 (1.00) TXNRD1GSRALDH1A1CYP2D6CYP2C9
SCHEMBL20476786 0.80 TXNRD1 (1.00) TXNRD1GSRMAPK1
SCHEMBL18497228 0.78 TXNRD1 (0.67) TXNRD1GSRALDH1A1MAPK1
SCHEMBL8563877 0.77 TXNRD1 (0.63) TXNRD1GSRALDH1A1CYP2D6CYP2C9
SCHEMBL8175466 0.76 TXNRD1 (0.61) TXNRD1GSRMAPK1
SCHEMBL4476290 0.75 TXNRD1 (0.60) TXNRD1GSRALDH1A1HPGDMAPK1
SCHEMBL10384031 0.74 VCAM1 (0.65) TXNRD1GSRALDH1A1CYP2D6CYP2C9
SCHEMBL10514409 0.74 TXNRD1 (0.58) TXNRD1GSRALDH1A1
SCHEMBL22280431 0.73 TXNRD1 (1.00) TXNRD1GSR
SCHEMBL22280583 0.73 TXNRD1 (1.00) TXNRD1GSRMAPK1

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 546/4885ALDH1A1 168/4885
US-20220119348-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, ABL1, IDH1 TXNRD1 549/4885GSR 546/4885ALDH1A1 168/4885
US-11161815-B2 Hydrocarbylsulfonyl-substituted pyridines and their use in the treatment of cancer HCCS, ABL1, IDH1 TXNRD1 549/4885GSR 546/4885ALDH1A1 168/4885

“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.