SCHEMBL15420555

SCHEMBL15420555

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HCRTR2 O43614 6/20 0.37
RORC P51449 1/20 0.34
PKM P14618 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL12987473 0.97 HCRTR2 (0.39) ACACBKCNH2HRH3HCRTR2RORC
SCHEMBL12987470 0.97 HCRTR2 (0.39) ACACBKCNH2HRH3HCRTR2RORC
SCHEMBL12987469 0.97 HCRTR2 (0.39) ACACBKCNH2HRH3HCRTR2RORC
SCHEMBL15420193 0.91 KCNH2 (0.39) ACACBKCNH2HRH3HCRTR2RORC
SCHEMBL15420450 0.90 HCRTR2 (0.41) ACACBKCNH2HRH3HCRTR2
SCHEMBL12987608 0.88 HCRTR2 (0.39) ACACBKCNH2HRH3HCRTR2RORC
SCHEMBL12987173 0.88 HCRTR2 (0.39) ACACBKCNH2HRH3HCRTR2RORC
SCHEMBL12987611 0.88 HCRTR2 (0.39) ACACBKCNH2HRH3HCRTR2RORC
SCHEMBL12987631 0.84 ACACB (0.38) ACACBRORCPKMALDH1A1LMNA
SCHEMBL12987633 0.84 ACACB (0.38) ACACBRORCPKMALDH1A1LMNA

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

“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.