SCHEMBL15420726

SCHEMBL15420726

O=S(=O)(N[C@H]1CCOC[C@@H]1COc1ccc(-n2cc(Cl)cn2)cc1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
CHRM1 P11229 2/20 0.33
RIPK2 O43353 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
MELK Q14680 1/20 0.32
KAT5 Q92993 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.31
ACACB O00763 1/20 0.30
GCGR P47871 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
SCHEMBL15420364 1.00 HRH3 (0.33) HRH3CHRM1RIPK2CYP17A1CYP3A4
SCHEMBL15420270 0.94 CYP17A1 (0.34) HRH3CHRM1RIPK2CYP17A1CYP3A4
SCHEMBL15420318 0.90 CHRM1 (0.35) HRH3CHRM1RIPK2KAT5MKNK1
SCHEMBL15420115 0.90 CHRM1 (0.35) HRH3CHRM1RIPK2KAT5MKNK1
SCHEMBL15420689 0.90 CHRM1 (0.35) HRH3CHRM1RIPK2KAT5MKNK1
SCHEMBL15420205 0.89 NR1H4 (0.30)
SCHEMBL15441158 0.89 KAT5 (0.38) HRH3CHRM1RIPK2MELKKAT5
SCHEMBL15420145 0.89 KAT5 (0.38) HRH3CHRM1RIPK2MELKKAT5
SCHEMBL15420165 0.89 CHRM1 (0.34) HRH3CHRM1RIPK2MELKKAT5
SCHEMBL15420468 0.89 CHRM1 (0.34) HRH3CHRM1RIPK2MELKKAT5

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 7 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-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US 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
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 HRH3 1365/4885CHRM1 227/4885RIPK2 3786/4885

“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.