SCHEMBL15440983

SCHEMBL15440983

O=S(=O)(N[C@H]1CCOC[C@@H]1COc1ccc(-c2ccc(F)cn2)cc1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 3/20 0.43
SCN9A Q15858 1/20 0.38
XDH P47989 1/20 0.36
GRM5 P41594 4/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
MGAT2 Q10469 1/20 0.33
ABL1 P00519 1/20 0.32
GRM4 Q14833 3/20 0.31
GPR183 P32249 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31
DGAT1 O75907 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
SCHEMBL12988153 1.00 GRIA2 (0.43) GRIA2SCN9AXDHGRM5HDAC1
SCHEMBL12987372 0.90 GRIA2 (0.46) GRIA2SCN9AXDHGRM5HDAC1
SCHEMBL15441136 0.90 GRIA2 (0.46) GRIA2SCN9AXDHGRM5HDAC1
SCHEMBL15441034 0.89 GRIA2 (0.46) GRIA2XDHGRM5HDAC1HDAC2
SCHEMBL12987133 0.89 GRIA2 (0.46) GRIA2XDHGRM5HDAC1HDAC2
SCHEMBL15420266 0.88 KDM4E (0.41) GRIA2XDH
SCHEMBL12987294 0.87 GRIA2 (0.39) GRIA2SCN9AHDAC1HDAC2GRM4
SCHEMBL15420174 0.87 GRIA2 (0.39) GRIA2SCN9AHDAC1HDAC2GRM4
SCHEMBL12987095 0.87 GRIA2 (0.39) GRIA2SCN9AHDAC1HDAC2GRM4
SCHEMBL15441453 0.87 GRM5 (0.35) GRIA2SCN9AGRM5GRM4AXL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 12/4885SCN9A 648/4885XDH 499/4885

“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.