SCHEMBL30049486

SCHEMBL30049486

O=S(=O)(c1ccc(N2CCOCC2)nc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.63
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ TSHR P16473 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ CYP2D6 P10635 4/20 0.56
▸ USP2 O75604 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.54
▸ GAA P10253 4/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TNF P01375 1/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL27162132 1.00 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRLMNACYP2D6
SCHEMBL30050728 0.94 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRLMNACYP2D6
SCHEMBL31097543 0.94 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRLMNACYP2D6
SCHEMBL27162537 0.94 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRLMNACYP2D6
SCHEMBL27162633 0.94 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRLMNACYP2D6
SCHEMBL31097586 0.93 CYP2D6 (0.62) ALDH1A1SMN1; SMN2TSHRLMNACYP2D6
SCHEMBL27162189 0.93 CYP2D6 (0.62) ALDH1A1SMN1; SMN2TSHRLMNACYP2D6
SCHEMBL30050081 0.90 CYP3A4 (0.58) ALDH1A1SMN1; SMN2TSHRLMNACYP2D6
SCHEMBL27161993 0.90 CYP3A4 (0.58) ALDH1A1SMN1; SMN2TSHRLMNACYP2D6
SCHEMBL30050317 0.88 CYP2D6 (0.56) ALDH1A1SMN1; SMN2TSHRLMNACYP2D6

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 ALDH1A1 1011/4885SMN1; SMN2 3118/4885TSHR 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.

Send feedback