SCHEMBL15420210

SCHEMBL15420210

CCS(=O)(=O)NC1CCOCC1COc1ccc(-c2cc(C)ccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN9A Q15858 1/20 0.34
ADAM17 P78536 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
HDAC1 Q13547 1/20 0.33
KDM5A P29375 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MMP13 P45452 3/20 0.31
ADAMTS4 O75173 2/20 0.31
MMP1 P03956 2/20 0.31
CYP2A6 P11509 1/20 0.31
GRM5 P41594 1/20 0.31
CHRM1 P11229 2/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL15441277 1.00 XDH (0.38) XDHNPC1RAB9ATDP1SCN9A
SCHEMBL15420485 0.87 CCR2 (0.37) XDHSCN9A
SCHEMBL15441524 0.87 CCR2 (0.37) XDHSCN9A
SCHEMBL15420572 0.87 CYP1A2 (0.43) XDHADAM17MMP13MMP1GRM5
SCHEMBL15420571 0.87 CYP1A2 (0.43) XDHADAM17MMP13MMP1GRM5
SCHEMBL15420576 0.87 CYP1A2 (0.43) XDHADAM17MMP13MMP1GRM5
SCHEMBL15441176 0.86 CHRNA7 (0.37) XDHNPC1RAB9AADAM17MMP13
SCHEMBL15420333 0.86 CHRNA7 (0.37) XDHNPC1RAB9AADAM17MMP13
SCHEMBL15420668 0.85 XDH (0.36) XDHADAM17CHRM1PDE10ACXCR1
SCHEMBL15441373 0.85 XDH (0.36) XDHADAM17CHRM1PDE10ACXCR1

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 XDH 499/4885NPC1 2770/4885RAB9A 3305/4885

“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.