SCHEMBL7019141

SCHEMBL7019141

CC(C)(C)OC(=O)CCS(=O)(=O)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.46
KMT2A Q03164 3/20 0.45
CLK1 P49759 2/20 0.43
CYP17A1 P05093 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
PAX8 Q06710 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7874061 0.80 ALDH1A1 (0.58) MMP1KMT2ALMNAHTTALDH1A1
SCHEMBL7017241 0.80 KMT2A (0.54) KMT2ALMNAHTTALDH1A1GAA
SCHEMBL7014945 0.78 HTT (0.55) MMP1KMT2ACLK1LMNAHTT
SCHEMBL7868885 0.75 KMT2A (0.57) KMT2ACA12CA1CA2CA9
SCHEMBL7866998 0.75 LMNA (0.48) MMP1KMT2ACA12CA1CA2
SCHEMBL3483003 0.73 ALDH1A1 (0.57) KMT2ALMNAALDH1A1GAAMEN1
SCHEMBL7869912 0.73 HTT (0.57) MMP1KMT2ALMNAHTTALDH1A1
SCHEMBL7868880 0.73 FFAR1 (0.47) KMT2ALMNAALDH1A1NPC1
SCHEMBL7869987 0.72 LMNA (0.57) MMP1KMT2ACA12CA1CA2
SCHEMBL947274 0.71 ALDH1A1 (0.44) MMP1KMT2ALMNAHTTALDH1A1

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 MMP1 4438/4885KMT2A 636/4885CLK1 4015/4885

“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.