SCHEMBL15420573

SCHEMBL15420573

CCS(=O)(=O)NC1CCOCC1COc1ccc(-c2ncc(C)o2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 1/20 0.33
XDH P47989 1/20 0.32
ADAM17 P78536 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
UBE2N P61088 1/20 0.32
ACACA Q13085 4/20 0.31
ACACB O00763 3/20 0.31
GAA P10253 2/20 0.31
KMT2A Q03164 2/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL15441638 1.00 EDNRB (0.34) EDNRBEDNRAMAPTLMNAXDH
SCHEMBL15420441 0.94 EDNRB (0.33) EDNRBEDNRAMAPTLMNAXDH
SCHEMBL15441213 0.94 EDNRB (0.33) EDNRBEDNRAMAPTLMNAXDH
SCHEMBL15420626 0.84 GABRA1 (0.36) XDHADAM17
SCHEMBL15441632 0.84 GABRA1 (0.36) XDHADAM17
SCHEMBL15420717 0.84 AOC3 (0.37) MAPTXDHADAM17ALDH1A1RAB9A
SCHEMBL15441233 0.84 AOC3 (0.37) MAPTXDHADAM17ALDH1A1RAB9A
SCHEMBL15420333 0.83 CHRNA7 (0.37) LMNAXDHADAM17KDM4EALDH1A1
SCHEMBL15441176 0.83 CHRNA7 (0.37) LMNAXDHADAM17KDM4EALDH1A1
SCHEMBL12987614 0.82 DGAT2 (0.36) MAPTXDHADAM17KDM4ERAB9A

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 3 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-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 EDNRB 609/4885EDNRA 328/4885MAPT 175/4885

“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.