SCHEMBL15420698

SCHEMBL15420698

CCS(=O)(=O)NC1CCOCC1COc1ccc(-c2cc(C)nn2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
FAAH O00519 3/20 0.36
ADAM17 P78536 1/20 0.34
XDH P47989 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ATR Q13535 1/20 0.31
BRD4 O60885 1/20 0.31
BRD3 Q15059 1/20 0.31
PTGS2 P35354 4/20 0.31
CPT1A P50416 2/20 0.31
CPT2 P23786 1/20 0.31
AOC3 Q16853 2/20 0.30
JAK1 P23458 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
SCHEMBL15441235 1.00 FFAR4 (0.38) FFAR4FAAHADAM17XDHCYP1A2
SCHEMBL15441370 0.92 FFAR4 (0.38) FFAR4FAAHADAM17XDHCYP1A2
SCHEMBL12989062 0.92 FFAR4 (0.38) FFAR4FAAHADAM17XDHCYP1A2
SCHEMBL15441702 0.89 FFAR4 (0.37) FFAR4FAAHADAM17XDHLIPG
SCHEMBL15420621 0.89 FFAR4 (0.37) FFAR4FAAHADAM17XDHLIPG
SCHEMBL15441373 0.85 XDH (0.36) FAAHADAM17XDHBRD4PTGS2
SCHEMBL15420668 0.85 XDH (0.36) FAAHADAM17XDHBRD4PTGS2
SCHEMBL15420456 0.83 FFAR4 (0.38) FFAR4ADAM17
SCHEMBL15420452 0.83 FFAR4 (0.38) FFAR4ADAM17
SCHEMBL15420453 0.83 FFAR4 (0.38) FFAR4ADAM17

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 FFAR4 277/4885FAAH 1196/4885ADAM17 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.