SCHEMBL30051180

SCHEMBL30051180

CN(C)c1ccc(S(=O)(=O)N2CCCC3(CCN(CCC(C)(C)C)CC3)C2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.44
▸ CYP3A4 P08684 7/20 0.42
▸ CYP1A2 P05177 7/20 0.42
▸ CYP2D6 P10635 6/20 0.42
▸ USP2 O75604 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ HTT P42858 2/20 0.40

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
SCHEMBL27162323 1.00 TSHR (0.44) TSHRCYP3A4CYP1A2CYP2D6USP2
SCHEMBL27162739 0.90 GAA (0.41) TSHRCYP3A4CYP1A2CYP2D6USP2
SCHEMBL30049494 0.90 GAA (0.41) TSHRCYP3A4CYP1A2CYP2D6USP2
SCHEMBL27162268 0.89 GAA (0.40) TSHRCYP3A4CYP1A2CYP2D6USP2
SCHEMBL30050023 0.89 GAA (0.40) TSHRCYP3A4CYP1A2CYP2D6USP2
SCHEMBL30049764 0.87 TSHR (0.45) TSHRCYP3A4CYP1A2CYP2D6USP2
SCHEMBL27162034 0.87 TSHR (0.45) TSHRCYP3A4CYP1A2CYP2D6USP2
SCHEMBL30049578 0.87 TSHR (0.46) TSHRCYP3A4CYP1A2CYP2D6USP2
SCHEMBL27162691 0.87 TSHR (0.46) TSHRCYP3A4CYP1A2CYP2D6USP2
SCHEMBL30050265 0.86 CYP3A4 (0.46) TSHRCYP3A4CYP1A2CYP2D6USP2

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 TSHR 540/4885CYP3A4 497/4885CYP1A2 141/4885

“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