SCHEMBL21713612

SCHEMBL21713612

O=S1(=O)NCC2(CCOCC2)Oc2ncccc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 16/20 0.33
NFE2L2 Q16236 15/20 0.33
SLC40A1 Q9NP59 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
AKR1B1 P15121 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
SCHEMBL21745167 0.92 KEAP1 (0.33) KEAP1NFE2L2
SCHEMBL21745161 0.92 KEAP1 (0.33) KEAP1NFE2L2
SCHEMBL29818991 0.92 KEAP1 (0.33) KEAP1NFE2L2
SCHEMBL30728508 0.92 KEAP1 (0.33) KEAP1NFE2L2
SCHEMBL21714032 0.92 KEAP1 (0.33) KEAP1NFE2L2
SCHEMBL21713401 0.92 CA12 (0.33) KEAP1SLC40A1CA12CA1CA2
SCHEMBL29819155 0.92 CA12 (0.33) KEAP1SLC40A1CA12CA1CA2
SCHEMBL31305931 0.89 CA12 (0.32) KEAP1CA12CA1CA2CA9
SCHEMBL26625670 0.89 CA12 (0.32) KEAP1CA12CA1CA2CA9
SCHEMBL21713916 0.86 CA12 (0.32) KEAP1NFE2L2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282724-A1 BENZOTRIAZOLE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-09-11 US disclosed
US-12378260-B2 Benzotriazole compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-08-05 US disclosed
US-20250092064-A1 BENZOTRIAZOLE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-03-20 US disclosed
EP-4509504-A1 BENZOTRIAZOLE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-02-19 EP disclosed
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 (8 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 KEAP1 1/4885NFE2L2 2/4885SLC40A1 735/4885
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 KEAP1 1/4885NFE2L2 2/4885SLC40A1 735/4885
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 KEAP1 1/4885NFE2L2 2/4885SLC40A1 735/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 KEAP1 1/4885NFE2L2 2/4885SLC40A1 735/4885
US-20250092064-A1 BENZOTRIAZOLE COMPOUND NFE2L2, BPTF, KEAP1 KEAP1 3/4885NFE2L2 1/4885SLC40A1 814/4885
US-12378260-B2 Benzotriazole compound NFE2L2, BPTF, KEAP1 KEAP1 3/4885NFE2L2 1/4885SLC40A1 814/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 KEAP1 1/4885NFE2L2 2/4885SLC40A1 735/4885
US-20250282724-A1 BENZOTRIAZOLE COMPOUND NFE2L2, BPTF, KEAP1 KEAP1 3/4885NFE2L2 1/4885SLC40A1 814/4885

“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.