SCHEMBL30050265

SCHEMBL30050265

CC(C)(C)CCN1CCC2(CCCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.46
▸ USP2 O75604 6/20 0.46
▸ TSHR P16473 7/20 0.46
▸ CYP1A2 P05177 9/20 0.44
▸ CYP2D6 P10635 9/20 0.44
▸ CYP2C19 P33261 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL27161860 1.00 CYP3A4 (0.46) CYP3A4USP2TSHRCYP1A2CYP2D6
SCHEMBL27162592 0.95 CYP3A4 (0.39) CYP3A4USP2TSHRCYP1A2CYP2D6
SCHEMBL30048779 0.95 CYP3A4 (0.39) CYP3A4USP2TSHRCYP1A2CYP2D6
SCHEMBL27162691 0.89 TSHR (0.46) CYP3A4USP2TSHRCYP1A2CYP2D6
SCHEMBL30049578 0.89 TSHR (0.46) CYP3A4USP2TSHRCYP1A2CYP2D6
SCHEMBL30049089 0.89 CYP2D6 (0.42) CYP3A4USP2TSHRCYP2D6SMN1; SMN2
SCHEMBL27161880 0.89 CYP2D6 (0.42) CYP3A4USP2TSHRCYP2D6SMN1; SMN2
SCHEMBL27162298 0.88 POLB (0.51) CYP3A4USP2TSHRCYP1A2CYP2D6
SCHEMBL30049764 0.87 TSHR (0.45) CYP3A4USP2TSHRCYP1A2CYP2D6
SCHEMBL30049872 0.87 TSHR (0.45) CYP3A4USP2TSHRCYP1A2CYP2D6

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 2065/4885TSHR 540/4885

“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.

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