SCHEMBL30048779

SCHEMBL30048779

CC(C)(C)CCN1CCC2(CC1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)nc1)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.39
▸ USP2 O75604 3/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ CYP2D6 P10635 6/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 3/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ PSEN1 P49768 4/20 0.37
▸ PSEN2 P49810 4/20 0.37
▸ APH1B Q8WW43 4/20 0.37
▸ NCSTN Q92542 4/20 0.37
▸ APH1A Q96BI3 4/20 0.37
▸ PSENEN Q9NZ42 4/20 0.37

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
SCHEMBL27162592 1.00 CYP3A4 (0.39) CYP3A4USP2SIGMAR1CYP2D6ALDH1A1
SCHEMBL27161860 0.95 CYP3A4 (0.46) CYP3A4USP2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL30050265 0.95 CYP3A4 (0.46) CYP3A4USP2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL27161880 0.94 CYP2D6 (0.42) CYP3A4USP2SIGMAR1CYP2D6ALDH1A1
SCHEMBL30049089 0.94 CYP2D6 (0.42) CYP3A4USP2SIGMAR1CYP2D6ALDH1A1
SCHEMBL27162113 0.84 GAA (0.45) USP2ALDH1A1SMN1; SMN2
SCHEMBL27162691 0.83 TSHR (0.46) CYP3A4USP2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL30049578 0.83 TSHR (0.46) CYP3A4USP2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL27162816 0.83 CYP2C9 (0.40) CYP3A4USP2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL27162298 0.82 POLB (0.51) CYP3A4USP2CYP2D6ALDH1A1SMN1; 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-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 CYP3A4 497/4885USP2 2065/4885SIGMAR1 1/4885

“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