SCHEMBL22280583

SCHEMBL22280583

COc1ccc([N+](=O)[O-])c(S(=O)(=O)Cc2ccc(Cl)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 19/20 1.00
JAK2 O60674 1/20 0.70
S1PR4 O95977 1/20 0.70
HSP90AA1 P07900 1/20 0.70
MAPT P10636 1/20 0.70
S1PR1 P21453 1/20 0.70
MAPK1 P28482 1/20 0.70
HTT P42858 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
GSR P00390 1/20 0.57

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
SCHEMBL20471809 0.89 TXNRD1 (1.00) TXNRD1
SCHEMBL20471816 0.89 TXNRD1 (1.00) TXNRD1
SCHEMBL22280409 0.88 TXNRD1 (1.00) TXNRD1
SCHEMBL20476786 0.88 TXNRD1 (1.00) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL22280432 0.86 TXNRD1 (1.00) TXNRD1JAK2S1PR4HSP90AA1MAPT
SCHEMBL22280433 0.83 TXNRD1 (1.00) TXNRD1
SCHEMBL18497236 0.82 S1PR4 (1.00) TXNRD1JAK2S1PR4HSP90AA1MAPT
SCHEMBL20476865 0.82 TXNRD1 (1.00) TXNRD1S1PR4MAPTS1PR1MAPK1
Hydrochloric Acid SCHEMBL18497224 0.81 S1PR4 (0.97) TXNRD1JAK2S1PR4HSP90AA1MAPT
SCHEMBL22280503 0.81 TXNRD1 (1.00) TXNRD1JAK2S1PR4HSP90AA1MAPT

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 549/4885JAK2 114/4885S1PR4 919/4885
US-20220119348-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, ABL1, IDH1 TXNRD1 549/4885JAK2 114/4885S1PR4 919/4885
US-11161815-B2 Hydrocarbylsulfonyl-substituted pyridines and their use in the treatment of cancer HCCS, ABL1, IDH1 TXNRD1 549/4885JAK2 114/4885S1PR4 919/4885

“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.