SCHEMBL15420553

SCHEMBL15420553

CCN(CC)C(=O)c1ccc(OC[C@H]2CC(F)(F)CC[C@@H]2NS(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SCN3A Q9NY46 1/20 0.38
OPRD1 P41143 4/20 0.36
OPRM1 P35372 3/20 0.36
KDM4E B2RXH2 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MLYCD O95822 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SCN9A Q15858 1/20 0.34
NPY2R P49146 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
SCHEMBL15420665 0.92 HRH3 (0.40) HRH3NPC1ALDH1A1LMNAMAPT
SCHEMBL12987746 0.81 HPGD (0.47) HRH3NPC1ALDH1A1MAPTRAB9A
SCHEMBL12987745 0.81 HPGD (0.47) HRH3NPC1ALDH1A1MAPTRAB9A
SCHEMBL15420392 0.78 HPGD (0.42) ALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL15420294 0.77 HCRTR2 (0.37) HRH3SCN3A
SCHEMBL15420537 0.77 HCRTR2 (0.37) HRH3SCN3A
SCHEMBL12986862 0.76 HCRTR2 (0.38) SCN3A
SCHEMBL12986858 0.76 HCRTR2 (0.38) SCN3A
SCHEMBL12987694 0.75 CYP1A2 (0.40) HRH3SCN3A
SCHEMBL12987698 0.75 CYP1A2 (0.40) HRH3SCN3A

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 1365/4885NPC1 2770/4885ALDH1A1 143/4885

“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.