SCHEMBL15420559

SCHEMBL15420559

O=S(=O)(N[C@H]1CCOC[C@@H]1COc1ccc(C2CCOCC2)cc1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
KCNH2 Q12809 1/20 0.40
HCRTR2 O43614 8/20 0.39
ACACB O00763 1/20 0.36
PKM P14618 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
P2RX4 Q99571 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADAM17 P78536 2/20 0.31
RORC P51449 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
AOC2 O75106 1/20 0.30
MAOA P21397 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
SCHEMBL12987790 0.89 HCRTR2 (0.41) HRH3KCNH2HCRTR2ACACB
SCHEMBL15420193 0.88 KCNH2 (0.39) HRH3KCNH2HCRTR2ACACBPKM
SCHEMBL12987611 0.84 HCRTR2 (0.39) HRH3KCNH2HCRTR2ACACBPKM
SCHEMBL12987173 0.84 HCRTR2 (0.39) HRH3KCNH2HCRTR2ACACBPKM
SCHEMBL12987608 0.84 HCRTR2 (0.39) HRH3KCNH2HCRTR2ACACBPKM
SCHEMBL12987697 0.81 HCRTR2 (0.48) HRH3KCNH2HCRTR2ALDH1A1LMNA
SCHEMBL12987699 0.81 HCRTR2 (0.48) HRH3KCNH2HCRTR2ALDH1A1LMNA
SCHEMBL15420034 0.80 P2RX3 (0.39)
SCHEMBL15420534 0.80 P2RX3 (0.39)
SCHEMBL15420450 0.80 HCRTR2 (0.41) HRH3KCNH2HCRTR2ACACB

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 1365/4885KCNH2 2363/4885HCRTR2 383/4885

“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.