SCHEMBL21714045

SCHEMBL21714045

CCC(OCc1ccccc1)c1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 4/20 0.34
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL1109912 0.85 HTT (0.41) HTTPOLBLMNAALDH1A1MAPT
SCHEMBL28564255 0.76 LMNA (0.42) HTTPOLBLMNAALDH1A1MAPT
SCHEMBL23716643 0.75 CA12 (0.37) POLBLMNAALDH1A1MAPTKMT2A
SCHEMBL7041454 0.75 LMNA (0.41) HTTPOLBLMNAALDH1A1MAPT
SCHEMBL9568576 0.73 HTT (0.38) HTTLMNAALDH1A1MAPTCYP1A2
SCHEMBL9615906 0.72 HTT (0.43) HTTLMNAALDH1A1MAPTKMT2A
SCHEMBL8586535 0.72 HTT (0.39) HTTPOLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL8813449 0.71 LMNA (0.43) HTTPOLBLMNAALDH1A1MAPT
SCHEMBL600325 0.71 ALDH1A1 (0.36) HTTLMNAALDH1A1MAPTTSHR
SCHEMBL1619492 0.70 ALDH1A1 (0.41) POLBLMNAALDH1A1MAPTSMN1; SMN2

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 5 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
EP-3833662-B1 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2024-01-17 EP disclosed
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2022-08-30 US disclosed
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 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 (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-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 HTT 1525/4885POLB 2535/4885LMNA 3523/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 HTT 1525/4885POLB 2535/4885LMNA 3523/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 HTT 1525/4885POLB 2535/4885LMNA 3523/4885

“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.