SCHEMBL6284249

SCHEMBL6284249

C[C@@](O)(Cn1cnc2ccccc21)SCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ FDPS P14324 1/20 0.46
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MKNK1 Q9BUB5 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL6871616 0.78 TDP1 (0.69) MAPK1DRD2DRD4DRD3LMNA
SCHEMBL6277487 0.77 FDPS (0.54) FDPSLMNATDP1HTTL3MBTL1
SCHEMBL16684726 0.72 FDPS (0.68) MAPK1FDPSLMNATDP1KDM4E
Hydrochloric Acid SCHEMBL699486 0.72 LMNA (0.49) MAPK1DRD2DRD4DRD3LMNA
SCHEMBL30001745 0.71 FDPS (0.66) MAPK1FDPSLMNATDP1KDM4E
SCHEMBL7998199 0.71 CYP11B1 (0.48) MAPK1DRD2DRD4DRD3LMNA
SCHEMBL13111953 0.68 FDPS (0.65) MAPK1FDPSLMNATDP1HTT
SCHEMBL8363128 0.67 PDE10A (0.58) MAPK1LMNAALDH1A1HSD17B10KDM4E
SCHEMBL6590472 0.67 MAPK1 (0.50) MAPK1DRD2DRD4DRD3LMNA
SCHEMBL29930695 0.66 NPSR1 (0.65) DRD2DRD3LMNATDP1ALDH1A1

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-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 — — US disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 — — 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS MAPK1 2467/4885FDPS 764/4885DRD2 4665/4885

“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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