SCHEMBL30049589

SCHEMBL30049589

O=S(=O)(c1ccc(N2CCC(F)(F)CC2)nc1)N1CCC2(CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 11/20 0.51
▸ CYP3A4 P08684 10/20 0.51
▸ USP2 O75604 8/20 0.51
▸ TSHR P16473 6/20 0.51
▸ CYP1A2 P05177 4/20 0.51
▸ CYP2C9 P11712 3/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ NPBWR1 P48145 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TNF P01375 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
SCHEMBL27161987 1.00 CYP2D6 (0.51) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL27162176 0.95 CYP3A4 (0.58) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL30049372 0.95 CYP3A4 (0.58) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL27162898 0.94 CYP2D6 (0.56) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL30050317 0.94 CYP2D6 (0.56) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL31097543 0.89 ALDH1A1 (0.57) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL27162633 0.89 ALDH1A1 (0.57) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL27161993 0.84 CYP3A4 (0.58) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL30050081 0.84 CYP3A4 (0.58) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL30050728 0.83 ALDH1A1 (0.60) CYP2D6CYP3A4USP2TSHRCYP1A2

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 CYP2D6 514/4885CYP3A4 497/4885USP2 2065/4885

“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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