SCHEMBL6490425

SCHEMBL6490425

CCOC(=O)COc1ccc(S(=O)(=O)Cl)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 8/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
PTPN1 P18031 1/20 0.42
ESR1 P03372 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.41
ABCB1 P08183 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL15969206 0.84 PPARG (0.46) MAPTSMN1; SMN2L3MBTL1
SCHEMBL15819886 0.81 USP2 (0.53) NPSR1GAAALDH1A1MEN1KMT2A
SCHEMBL2876705 0.80 ALDH1A1 (0.47) NPSR1GAAALDH1A1MEN1KMT2A
SCHEMBL28615512 0.80 POLB (0.47) NPSR1GAAALDH1A1MEN1KMT2A
SCHEMBL1417326 0.77 KDM4E (0.44) NPSR1GAAALDH1A1MEN1KMT2A
SCHEMBL942807 0.76 TSHR (0.54) NPSR1GAAALDH1A1MEN1KMT2A
SCHEMBL6490572 0.76 GAA (0.57) NPSR1GAAALDH1A1MEN1KMT2A
SCHEMBL8663968 0.76 GAA (0.53) NPSR1GAAALDH1A1MEN1KMT2A
SCHEMBL3276214 0.75 ALDH1A1 (0.57) NPSR1GAAALDH1A1MEN1KMT2A
SCHEMBL3270052 0.75 NPSR1 (0.52) NPSR1GAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234096-A1 Tetrahydroisoquinoline derivatives BAYER HEALTHCARE AG (DE) 2005-10-20 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-20050234096-A1 Tetrahydroisoquinoline derivatives PPARD, PPARG, PPARA NPSR1 2104/4885GAA 2179/4885ALDH1A1 2218/4885

“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.