SCHEMBL7016227

SCHEMBL7016227

CCOC(=O)CCCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
F10 P00742 17/20 0.52
ALDH1A1 P00352 2/20 0.46
F2 P00734 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7014861 0.96 GAA (0.54) GAAF10ALDH1A1F2PLAT
SCHEMBL7013159 0.82 PPARG (0.51) F10ALDH1A1
SCHEMBL7010156 0.78 PPARG (0.52) F10ALDH1A1
SCHEMBL7870795 0.77 ALDH1A1 (0.71) GAAALDH1A1KDM4E
SCHEMBL7017324 0.76 F10 (0.53) GAAF10ALDH1A1KDM4EHPGD
SCHEMBL7015078 0.76 F10 (0.44) F10ALDH1A1
SCHEMBL7015561 0.76 CA2 (0.51) F10ALDH1A1
SCHEMBL6079464 0.75 ALDH1A1 (0.53) GAAALDH1A1KDM4EHPGD
SCHEMBL7055916 0.75 ALDH1A1 (0.49) GAAF10ALDH1A1
SCHEMBL7018196 0.75 F10 (0.55) F10F2PLATKLKB1

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-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH GAA 4731/4885F10 717/4885ALDH1A1 4317/4885

“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.