SCHEMBL12986919

SCHEMBL12986919

CCS(=O)(=O)NC1CCOCC1COc1ccc(-c2cc(C)on2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
CXCR1 P25024 1/20 0.36
ADAM17 P78536 1/20 0.35
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
KMT2A Q03164 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
S1PR1 P21453 1/20 0.32
CHRM1 P11229 3/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDE2A O00408 1/20 0.31
PDE11A Q9HCR9 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
SCHEMBL15441644 1.00 XDH (0.38) XDHCXCR1ADAM17MAPTSMN1; SMN2
SCHEMBL15420861 0.93 XDH (0.38) XDHCXCR1ADAM17MAPTSMN1; SMN2
SCHEMBL15441299 0.91 XDH (0.38) XDHCXCR1ADAM17MAPTSMN1; SMN2
SCHEMBL12989238 0.91 XDH (0.38) XDHCXCR1ADAM17MAPTSMN1; SMN2
SCHEMBL12988122 0.90 XDH (0.37) XDHCXCR1ADAM17MAPTSMN1; SMN2
SCHEMBL15441645 0.90 XDH (0.37) XDHCXCR1ADAM17MAPTSMN1; SMN2
SCHEMBL15420893 0.87 SCN9A (0.33) ADAM17RAB9AKMT2A
SCHEMBL15420922 0.87 SCN9A (0.37) S1PR1
SCHEMBL15441277 0.85 XDH (0.38) XDHCXCR1ADAM17NPC1RAB9A
SCHEMBL15420210 0.85 XDH (0.38) XDHCXCR1ADAM17NPC1RAB9A

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 6 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
EP-2694472-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2014-02-12 EP disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
WO-2012137982-A9 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-14 WO disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 WO 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 499/4885CXCR1 4018/4885ADAM17 1833/4885

“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.