SCHEMBL15420717

SCHEMBL15420717

CCS(=O)(=O)NC1CCOCC1COc1ccc(-c2cnc(C)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.37
MMP13 P45452 3/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
LTB4R Q15722 3/20 0.33
MMP1 P03956 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
TBK1 Q9UHD2 2/20 0.32
XDH P47989 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
SCHEMBL15441233 1.00 AOC3 (0.37) AOC3MMP13ACACBACACALTB4R
SCHEMBL15420753 0.85 P2RX3 (0.41) P2RX3P2RX2
SCHEMBL15441182 0.85 P2RX3 (0.41) P2RX3P2RX2
SCHEMBL15420573 0.84 EDNRB (0.34) ACACBACACANPC1ALDH1A1MAPT
SCHEMBL15441638 0.84 EDNRB (0.34) ACACBACACANPC1ALDH1A1MAPT
SCHEMBL15441632 0.83 GABRA1 (0.36) XDHADAM17
SCHEMBL15420626 0.83 GABRA1 (0.36) XDHADAM17
SCHEMBL15420727 0.82 MMP13 (0.35) MMP13ACACBACACAMMP1ADAM17
SCHEMBL15441274 0.82 LMNA (0.43) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL15420125 0.82 LMNA (0.43) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2

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 AOC3 3378/4885MMP13 4747/4885ACACB 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.