SCHEMBL15420193

SCHEMBL15420193

CCS(=O)(=O)N[C@H]1CCOC[C@@H]1COc1ccc(C2CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ACACB O00763 2/20 0.38
HCRTR2 O43614 6/20 0.37
RORC P51449 1/20 0.34
PKM P14618 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
ADAM17 P78536 2/20 0.32
P2RX4 Q99571 1/20 0.32
PDE9A O76083 1/20 0.32

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
SCHEMBL12987611 0.97 HCRTR2 (0.39) KCNH2HRH3ACACBHCRTR2RORC
SCHEMBL12987173 0.97 HCRTR2 (0.39) KCNH2HRH3ACACBHCRTR2RORC
SCHEMBL12987608 0.97 HCRTR2 (0.39) KCNH2HRH3ACACBHCRTR2RORC
SCHEMBL15420555 0.91 ACACB (0.40) KCNH2HRH3ACACBHCRTR2RORC
SCHEMBL12987790 0.90 HCRTR2 (0.41) KCNH2HRH3ACACBHCRTR2
SCHEMBL12987473 0.88 HCRTR2 (0.39) KCNH2HRH3ACACBHCRTR2RORC
SCHEMBL12987469 0.88 HCRTR2 (0.39) KCNH2HRH3ACACBHCRTR2RORC
SCHEMBL12987470 0.88 HCRTR2 (0.39) KCNH2HRH3ACACBHCRTR2RORC
SCHEMBL15420559 0.88 HRH3 (0.40) KCNH2HRH3ACACBHCRTR2RORC
SCHEMBL15420533 0.85 KCNH2 (0.36) KCNH2HRH3ACACBHCRTR2RORC

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 KCNH2 2363/4885HRH3 1365/4885ACACB 3123/4885

“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.