SCHEMBL21247447

SCHEMBL21247447

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.47
GPR119 Q8TDV5 5/20 0.44
PIK3CD O00329 1/20 0.44
MET P08581 1/20 0.43
PRKCQ Q04759 1/20 0.42
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.41
USP30 Q70CQ3 2/20 0.41
NR1D1 P20393 2/20 0.40
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL28901520 1.00 TXNRD1 (0.47) TXNRD1GPR119PIK3CDMETPRKCQ
SCHEMBL28469711 1.00 TXNRD1 (0.47) TXNRD1GPR119PIK3CDMETPRKCQ
SCHEMBL28480884 0.94 MET (0.42) TXNRD1GPR119PIK3CDMETPRKCQ
SCHEMBL28469727 0.94 TXNRD1 (0.51) TXNRD1GPR119METNAMPTPOLB
SCHEMBL20471639 0.84 TXNRD1 (0.47) TXNRD1PAX8ALDH1A1LMNAMAPT
SCHEMBL21247456 0.84 TXNRD1 (0.47) TXNRD1PAX8ALDH1A1LMNAMAPT
SCHEMBL20471643 0.84 TXNRD1 (0.47) TXNRD1PAX8ALDH1A1LMNAMAPT
SCHEMBL15917743 0.84 GPR119 (0.47) GPR119PIK3CDNAMPTPOLBUSP30
SCHEMBL20471646 0.79 SMN1; SMN2 (0.49) TXNRD1PAX8ALDH1A1LMNAMAPT
SCHEMBL14335034 0.78 PIK3CD (0.52) GPR119PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168069-B2 Heterocyclylsulfonyl-substituted pyridines and their use in the treatment of cancer OBLIQUE THERAPEUTICS AB (SE) 2021-11-09 US claimed
US-11168069-B2 Heterocyclylsulfonyl-substituted pyridines and their use in the treatment of cancer OBLIQUE THERAPEUTICS AB (SE) 2021-11-09 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
WO-2019155086-A1 THIOREDOXIN REDUCTASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER CINDA PHARMA AB (SE) 2019-08-15 WO 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 (2 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-11168069-B2 Heterocyclylsulfonyl-substituted pyridines and their use in the treatment of cancer TP53, CCNI, IDH1 TXNRD1 279/4885GPR119 3139/4885PIK3CD 3557/4885
US-20210038577-A1 THIOREDOXIN REDUCTASE INHIBITORS FOR USE IN THE TREATMENT OF CANCER TXNRD3, TXNRD1, TXNRD2 TXNRD1 2/4885GPR119 2928/4885PIK3CD 4729/4885

“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.