SCHEMBL15420755

SCHEMBL15420755

CCS(=O)(=O)N[C@H]1COCC[C@@H]1COc1ccc(-c2ccc(F)cn2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 3/20 0.43
AXL P30530 2/20 0.34
MERTK Q12866 2/20 0.34
PIK3CA P42336 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PIK3R1 P27986 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
GRM5 P41594 1/20 0.33
MAPK14 Q16539 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
GRM4 Q14833 1/20 0.33
SMO Q99835 1/20 0.33
SCN9A Q15858 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL12988546 0.93 GRIA2 (0.41) GRIA2AXLMERTKPIK3CAFFAR4
SCHEMBL12987632 0.93 GRIA2 (0.41) GRIA2AXLMERTKPIK3CAFFAR4
SCHEMBL12988605 0.93 GRIA2 (0.41) GRIA2AXLMERTKPIK3CAFFAR4
SCHEMBL15420641 0.92 GRIA2 (0.44) GRIA2AXLMERTKPIK3CAFFAR4
SCHEMBL15420427 0.90 GRIA2 (0.41) GRIA2AXLMERTKPIK3CAFFAR4
SCHEMBL15420404 0.87 GRIA2 (0.48) GRIA2GRM5GRM4GPR119
SCHEMBL12987400 0.85 SCN9A (0.36) PIK3CAFFAR4PIK3R1SCN9A
SCHEMBL15420397 0.85 GRIA2 (0.42) GRIA2AXLMERTKPIK3CAFFAR4
SCHEMBL12986813 0.85 GRIA2 (0.42) GRIA2AXLMERTKPIK3CAFFAR4
SCHEMBL12987995 0.85 GRIA2 (0.42) GRIA2AXLMERTKPIK3CAFFAR4

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 7 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-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US 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
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 GRIA2 12/4885AXL 326/4885MERTK 698/4885

“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.