SCHEMBL21714067

SCHEMBL21714067

Cc1cc2cc(/C=C/C(=O)O)n(C)c2nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ TBXAS1 P24557 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ BLM P54132 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PLA2G4A P47712 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CCNC P24863 2/20 0.30
▸ CDK8 P49336 2/20 0.30
▸ AKR1B10 O60218 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ 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
SCHEMBL28567071 1.00 ALDH1A1 (0.36) ALDH1A1GAATBXAS1L3MBTL1KMT2A
SCHEMBL21745177 0.82 TTR (0.40) KDM4ECYP3A4CCNCCDK8RAB9A
SCHEMBL29818939 0.82 TTR (0.40) KDM4ECYP3A4CCNCCDK8RAB9A
SCHEMBL21713920 0.78 — —
SCHEMBL1124318 0.68 ALDH1A1 (0.49) ALDH1A1GAATBXAS1L3MBTL1KMT2A
SCHEMBL1124321 0.68 ALDH1A1 (0.49) ALDH1A1GAATBXAS1L3MBTL1KMT2A
SCHEMBL7326492 0.68 MCL1 (0.54) KMT2APLA2G4ARAB9A
SCHEMBL7326486 0.68 MCL1 (0.54) KMT2APLA2G4ARAB9A
SCHEMBL21762358 0.66 POLB (0.38) ALDH1A1L3MBTL1KDM4ECYP3A4TSHR
SCHEMBL1124384 0.65 ALDH1A1 (0.41) ALDH1A1GAATBXAS1L3MBTL1KMT2A

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
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-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
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

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-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 ALDH1A1 1271/4885GAA 2811/4885TBXAS1 1920/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 ALDH1A1 1271/4885GAA 2811/4885TBXAS1 1920/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 ALDH1A1 1271/4885GAA 2811/4885TBXAS1 1920/4885

“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.

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