SCHEMBL22491385

SCHEMBL22491385

Cc1ccc(S(=O)(=O)N/N=C(/c2ccccc2)C2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 7/20 0.44
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL22491388 1.00 POLB (0.45) POLBLMNAALDH1A1F2PRSS1
SCHEMBL23211799 1.00 POLB (0.45) POLBLMNAALDH1A1F2PRSS1
SCHEMBL21385345 0.90 PTGS2 (0.46) POLBLMNAALDH1A1F2PRSS1
SCHEMBL21385346 0.90 PTGS2 (0.46) POLBLMNAALDH1A1F2PRSS1
SCHEMBL22491394 0.90 HSD11B1 (0.48) POLBLMNAALDH1A1F2PRSS1
SCHEMBL22491484 0.90 HSD11B1 (0.48) POLBLMNAALDH1A1F2PRSS1
SCHEMBL21382157 0.89 EGFR (0.50) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL21382156 0.89 EGFR (0.50) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL25260321 0.87 MMP13 (0.55) MEN1KMT2AKDM4E
SCHEMBL22773317 0.87 MMP13 (0.55) MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP 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 (1 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-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY POLB 1667/4885LMNA 16/4885ALDH1A1 231/4885

“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.