SCHEMBL30050034

SCHEMBL30050034

O=C1OCCN1c1ccc(S(=O)(=O)N2CCC3(CCN(Cc4ccccc4F)CC3)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ CYP2D6 P10635 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ USP2 O75604 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP2A13 Q16696 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL27162198 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CYP2D6ALDH1A1LMNAL3MBTL1
SCHEMBL30049542 0.95 SMN1; SMN2 (0.40) SMN1; SMN2CYP2D6ALDH1A1LMNAL3MBTL1
SCHEMBL27162591 0.95 SMN1; SMN2 (0.40) SMN1; SMN2CYP2D6ALDH1A1LMNAL3MBTL1
SCHEMBL30050073 0.91 CYP3A4 (0.43) SMN1; SMN2CYP2D6ALDH1A1LMNAL3MBTL1
SCHEMBL27162246 0.91 CYP3A4 (0.43) SMN1; SMN2CYP2D6ALDH1A1LMNAL3MBTL1
SCHEMBL27162042 0.91 CYP3A4 (0.47) SMN1; SMN2CYP2D6ALDH1A1LMNAL3MBTL1
SCHEMBL30049081 0.91 CYP3A4 (0.47) SMN1; SMN2CYP2D6ALDH1A1LMNAL3MBTL1
SCHEMBL27161719 0.90 ALDH1A1 (0.41) SMN1; SMN2CYP2D6ALDH1A1LMNAL3MBTL1
SCHEMBL30049321 0.90 ALDH1A1 (0.41) SMN1; SMN2CYP2D6ALDH1A1LMNAL3MBTL1
SCHEMBL30049383 0.87 CYP2D6 (0.53) SMN1; SMN2CYP2D6ALDH1A1LMNAL3MBTL1

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-4330248-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-03-06 — — EP claimed
WO-2022229405-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-11-03 — — WO claimed
US-20240254115-A1 New Pyridine-Sulfonamide Derivatives as Sigma Ligands ACONDICIONAMIENTO TARRASENSE (ES) 2024-08-01 — — US disclosed
EP-4330248-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-03-06 — — EP disclosed
WO-2022229405-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-11-03 — — WO 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-20240254115-A1 New Pyridine-Sulfonamide Derivatives as Sigma Ligands SIGMAR1, TMEM97, OPRD1 SMN1; SMN2 3118/4885CYP2D6 514/4885ALDH1A1 1011/4885

“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.

Send feedback