SCHEMBL15420485

SCHEMBL15420485

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.37
KCNH2 Q12809 3/20 0.37
SCN9A Q15858 1/20 0.36
XDH P47989 1/20 0.35
MAP3K12 Q12852 2/20 0.35
FFAR4 Q5NUL3 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
IDH2 P48735 1/20 0.33
RAF1 P04049 1/20 0.33
CCR5 P51681 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
SCHEMBL15441524 1.00 CCR2 (0.37) CCR2KCNH2SCN9AXDHMAP3K12
SCHEMBL15441277 0.87 XDH (0.38) SCN9AXDH
SCHEMBL15420210 0.87 XDH (0.38) SCN9AXDH
SCHEMBL12987769 0.87 PPARD (0.41) KCNH2SCN9AXDHFFAR4CYP11B1
SCHEMBL15441150 0.87 PPARD (0.41) KCNH2SCN9AXDHFFAR4CYP11B1
SCHEMBL15420572 0.83 CYP1A2 (0.43) KCNH2XDH
SCHEMBL15420576 0.83 CYP1A2 (0.43) KCNH2XDH
SCHEMBL15420571 0.83 CYP1A2 (0.43) KCNH2XDH
SCHEMBL15420058 0.82 XDH (0.35) XDHCYP11B1CYP11B2
SCHEMBL15441386 0.82 XDH (0.35) XDHCYP11B1CYP11B2

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 CCR2 4099/4885KCNH2 2363/4885SCN9A 648/4885

“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.