SCHEMBL7012908

SCHEMBL7012908

COC(=O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
PHGDH O43175 3/20 0.53
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
F10 P00742 3/20 0.45
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PKM P14618 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.42
HTT P42858 1/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL2069060 0.85 GAA (0.74) GAAALDH1A1KDM4EHTT
SCHEMBL1346520 0.84 ALDH1A1 (0.65) GAAPHGDHALDH1A1KDM4ENPC1
SCHEMBL7012000 0.82 ALDH1A1 (0.72) GAAALDH1A1KDM4EF10NPC1
SCHEMBL1346427 0.82 CYP1A2 (0.57) GAAPHGDHCA12CA1CA2
SCHEMBL7017091 0.81 MMP2 (0.49) GAAALDH1A1KDM4EF10NPC1
SCHEMBL2070112 0.80 ALDH1A1 (0.56) GAAPHGDHALDH1A1KDM4ECA12
SCHEMBL6791925 0.80 ALDH1A1 (0.57) GAAALDH1A1KDM4ENPC1HTT
SCHEMBL1347508 0.79 MEN1 (0.46) GAAPHGDHALDH1A1KDM4ECA12
SCHEMBL7010697 0.79 F10 (0.47) ALDH1A1KDM4EF10
SCHEMBL1346552 0.78 CA12 (0.49) PHGDHALDH1A1KDM4ENPC1CA12

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 4731/4885PHGDH 3045/4885ALDH1A1 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.