SCHEMBL15420296

SCHEMBL15420296

NS(=O)(=O)C[C@H]1COCC[C@@H]1COc1ccc(-n2cc(Cl)cn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MELK Q14680 1/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
CHRM1 P11229 1/20 0.31
KAT5 Q92993 1/20 0.31
AOC2 O75106 2/20 0.31
MAOA P21397 2/20 0.31
RIPK2 O43353 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
XDH P47989 1/20 0.31
CYP17A1 P05093 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP21A2 P08686 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30

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
SCHEMBL15420299 0.86 MELK (0.33) CYP46A1MELKKAT5
Hydrochloric Acid SCHEMBL15420647 0.83 CYP46A1 (0.34) CYP46A1HRH3MELKRIPK2FFAR4
Hydrochloric Acid SCHEMBL12989151 0.83 CYP46A1 (0.34) CYP46A1HRH3MELKRIPK2FFAR4
SCHEMBL15420469 0.82 CHRM1 (0.35) CYP46A1HRH3CHRM1KAT5RIPK2
SCHEMBL15420115 0.81 CHRM1 (0.35) CYP46A1HRH3CHRM1KAT5RIPK2
SCHEMBL15420689 0.81 CHRM1 (0.35) CYP46A1HRH3CHRM1KAT5RIPK2
SCHEMBL15420522 0.81 CHRM1 (0.35) CYP46A1HRH3MELKCHRM1KAT5
SCHEMBL15420270 0.81 CYP17A1 (0.34) CYP46A1HRH3MELKCHRM1KAT5
SCHEMBL15420318 0.81 CHRM1 (0.35) CYP46A1HRH3CHRM1KAT5RIPK2
SCHEMBL15420716 0.81 CHRM1 (0.39) CYP46A1HRH3CHRM1RIPK2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 CYP46A1 1863/4885HRH3 1365/4885MELK 2394/4885

“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.