SCHEMBL10697624

SCHEMBL10697624

CS(=O)(=O)c1nc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.44
MAPT P10636 2/20 0.44
S1PR1 P21453 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
JAK2 O60674 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
TXNRD1 Q16881 14/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
FGFR4 P22455 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL20476784 0.89 TXNRD1 (0.57) S1PR4MAPTS1PR1MAPK1NPSR1
SCHEMBL20471446 0.87 TXNRD1 (0.50) S1PR4MAPTS1PR1MAPK1NPSR1
SCHEMBL10697700 0.83 TDP1 (0.47) MAPTNPSR1TXNRD1TDP1ALDH1A1
SCHEMBL10698683 0.81 TDP1 (0.44) MAPTNPSR1TXNRD1TDP1ALDH1A1
SCHEMBL10695727 0.81 TDP1 (0.42) MAPTMAPK1NPSR1TXNRD1TDP1
SCHEMBL10697029 0.81 TDP1 (0.42) MAPTNPSR1TXNRD1TDP1ALDH1A1
SCHEMBL10697848 0.78 FGFR4 (0.45) MAPTNPSR1TXNRD1TDP1ALDH1A1
SCHEMBL20471448 0.78 CYP3A4 (0.39) MAPTMAPK1NPSR1TXNRD1TDP1
SCHEMBL10699015 0.77 TDP1 (0.42) MAPTMAPK1HTTTXNRD1TDP1
SCHEMBL10698436 0.77 MEN1 (0.43) MAPTNPSR1HTTTXNRD1TDP1

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 12 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 claimed
US-20200239417-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER OBLIQUE THERAPEUTICS AB (SE) 2020-07-30 US claimed
WO-2018146472-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER OBLIQUE THERAPEUTICS AB (SE) 2018-08-16 WO claimed
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-20210038577-A1 THIOREDOXIN REDUCTASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER CINDA PHARMA AB (SE) 2021-02-11 US disclosed
EP-3752151-A1 THIOREDOXIN REDUCTASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER Cinda Pharma AB (SE) 2020-12-23 EP disclosed
CN-111867587-A Thioredoxin reductase inhibitors for the treatment of cancer 信达制药公司 2020-10-30 CN disclosed
US-20200239417-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER OBLIQUE THERAPEUTICS AB (SE) 2020-07-30 US disclosed
WO-2019155086-A1 THIOREDOXIN REDUCTASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER CINDA PHARMA AB (SE) 2019-08-15 WO disclosed
WO-2018146472-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER OBLIQUE THERAPEUTICS AB (SE) 2018-08-16 WO disclosed
EP-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 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 (4 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 S1PR4 919/4885MAPT 4656/4885S1PR1 571/4885
US-20220119348-A1 HYDROCARBYLSULFONYL-SUBSTITUTED PYRIDINES AND THEIR USE IN THE TREATMENT OF CANCER HCCS, ABL1, IDH1 S1PR4 919/4885MAPT 4656/4885S1PR1 571/4885
US-11161815-B2 Hydrocarbylsulfonyl-substituted pyridines and their use in the treatment of cancer HCCS, ABL1, IDH1 S1PR4 919/4885MAPT 4656/4885S1PR1 571/4885
US-20210038577-A1 THIOREDOXIN REDUCTASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER TXNRD3, TXNRD1, TXNRD2 S1PR4 391/4885MAPT 3571/4885S1PR1 368/4885

“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.