SCHEMBL31097543

SCHEMBL31097543

O=S(=O)(c1ccc(N2CCOCC2)nc1)N1CCC2(CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ TSHR P16473 6/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ CYP2D6 P10635 5/20 0.51
▸ USP2 O75604 5/20 0.51
▸ CYP3A4 P08684 5/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ GAA P10253 3/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MAPT P10636 1/20 0.44

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
SCHEMBL27162633 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL27161993 0.95 CYP3A4 (0.58) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL30050081 0.95 CYP3A4 (0.58) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL27162537 0.94 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL30050728 0.94 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL30049486 0.94 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL27162132 0.94 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL31097586 0.91 CYP2D6 (0.62) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL27162189 0.91 CYP2D6 (0.62) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL30049589 0.89 CYP2D6 (0.51) ALDH1A1SMN1; SMN2LMNATSHRKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254115-A1 New Pyridine-Sulfonamide Derivatives as Sigma Ligands ACONDICIONAMIENTO TARRASENSE (ES) 2024-08-01 — — US claimed
US-20240254115-A1 New Pyridine-Sulfonamide Derivatives as Sigma Ligands ACONDICIONAMIENTO TARRASENSE (ES) 2024-08-01 — — US 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 ALDH1A1 1011/4885SMN1; SMN2 3118/4885LMNA 4086/4885

“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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