SCHEMBL30049987

SCHEMBL30049987

CC(C)(C)CCN1CCCC2(CCN(S(=O)(=O)c3ccc(N4CCC5(CCCO5)CC4)nc3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ HSD17B10 Q99714 4/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP3A4 P08684 7/20 0.40
▸ TSHR P16473 7/20 0.40
▸ CYP2C19 P33261 5/20 0.40
▸ USP2 O75604 3/20 0.40
▸ CYP2D6 P10635 5/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL27161879 1.00 GAA (0.43) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL27162495 0.92 GAA (0.44) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30049747 0.92 GAA (0.44) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL27162782 0.92 GAA (0.43) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30049856 0.92 GAA (0.43) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL27162056 0.92 GAA (0.46) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30049944 0.92 GAA (0.46) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30048847 0.89 ALDH1A1 (0.56) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL27161957 0.89 ALDH1A1 (0.56) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL27162293 0.87 GAA (0.47) GAAKDM4ESMN1; SMN2ALDH1A1HSD17B10

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 GAA 3700/4885KDM4E 3959/4885SMN1; SMN2 3118/4885

“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