SCHEMBL15420641

SCHEMBL15420641

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 3/20 0.44
SMO Q99835 1/20 0.38
KDM1A O60341 1/20 0.35
AXL P30530 2/20 0.35
MERTK Q12866 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
PIK3CA P42336 2/20 0.34
PIK3R1 P27986 1/20 0.34
GRM5 P41594 1/20 0.34
MAPK14 Q16539 2/20 0.33
SCN9A Q15858 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
GRM4 Q14833 1/20 0.33
TDO2 P48775 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
SCHEMBL12987995 0.93 GRIA2 (0.42) GRIA2SMOKDM1AAXLMERTK
SCHEMBL12986811 0.93 GRIA2 (0.42) GRIA2SMOKDM1AAXLMERTK
SCHEMBL15420028 0.93 GRIA2 (0.42) GRIA2SMOKDM1AAXLMERTK
SCHEMBL12986813 0.93 GRIA2 (0.42) GRIA2SMOKDM1AAXLMERTK
SCHEMBL15420397 0.93 GRIA2 (0.42) GRIA2SMOKDM1AAXLMERTK
SCHEMBL15420755 0.92 GRIA2 (0.43) GRIA2SMOAXLMERTKFFAR4
SCHEMBL15420427 0.90 GRIA2 (0.41) GRIA2AXLMERTKFFAR4PIK3CA
SCHEMBL15420813 0.87 GRIA2 (0.48) GRIA2SMOGRM5SCN9A
SCHEMBL12988605 0.85 GRIA2 (0.41) GRIA2SMOAXLMERTKFFAR4
SCHEMBL12987327 0.85 SCN9A (0.36) FFAR4PIK3CAPIK3R1SCN9AMKNK2

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 12/4885SMO 244/4885KDM1A 1683/4885

“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.