SCHEMBL21713401

SCHEMBL21713401

O=S1(=O)NCC2(CC2)Oc2ncccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
AKR1B1 P15121 1/20 0.33
KEAP1 Q14145 1/20 0.33
OTUD7B Q6GQQ9 2/20 0.31
GRIA2 P42262 1/20 0.31
SLC40A1 Q9NP59 3/20 0.30
SMO Q99835 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKBIA P25963 1/20 0.30
OPRK1 P41145 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL29819155 1.00 CA12 (0.33) CA12CA1CA2CA9AKR1B1
SCHEMBL31305931 0.94 CA12 (0.32) CA12CA1CA2CA9AKR1B1
SCHEMBL26625670 0.94 CA12 (0.32) CA12CA1CA2CA9AKR1B1
SCHEMBL21713612 0.92 KEAP1 (0.33) CA12CA1CA2CA9AKR1B1
SCHEMBL21713916 0.89 CA12 (0.32) CA12CA1CA2CA9AKR1B1
SCHEMBL21745161 0.87 KEAP1 (0.33) KEAP1
SCHEMBL29818991 0.87 KEAP1 (0.33) KEAP1
SCHEMBL30728508 0.87 KEAP1 (0.33) KEAP1
SCHEMBL21745167 0.87 KEAP1 (0.33) KEAP1
SCHEMBL21714032 0.87 KEAP1 (0.33) KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4364804-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION Janssen Pharmaceutica NV (BE) 2024-05-08 EP disclosed
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2024-02-13 US disclosed
EP-3833662-B1 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2024-01-17 EP disclosed
EP-3833662-B1 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2024-01-17 EP disclosed
US-20220315604-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 US disclosed
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2022-08-30 US disclosed
EP-3833662-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION Janssen Pharmaceutica N.V. (BE) 2021-06-16 EP disclosed
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 US disclosed
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 US disclosed
WO-2020041169-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 WO disclosed
WO-2020041169-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 WO disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 US disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 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 (5 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-20220315604-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 CA12 4850/4885CA1 4705/4885CA2 4517/4885
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 CA12 4850/4885CA1 4705/4885CA2 4517/4885
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 CA12 4850/4885CA1 4705/4885CA2 4517/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 CA12 4850/4885CA1 4705/4885CA2 4517/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 CA12 4850/4885CA1 4705/4885CA2 4517/4885

“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.