SCHEMBL15420514

SCHEMBL15420514

CS(=O)(=O)N[C@H]1COCC[C@@H]1COc1ccc(-c2ncc(F)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
SMO Q99835 2/20 0.35
KDM1A O60341 2/20 0.34
HCRTR2 O43614 5/20 0.33
GRM4 Q14833 3/20 0.33
PIK3CA P42336 2/20 0.33
PIK3R1 P27986 1/20 0.33
FFAR1 O14842 1/20 0.33
GRIA2 P42262 1/20 0.33
XDH P47989 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK14 Q16539 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL15420273 0.93 GRM5 (0.36) GRM5SMOKDM1AHCRTR2GRM4
SCHEMBL12987565 0.93 GRM5 (0.36) GRM5SMOKDM1AHCRTR2GRM4
SCHEMBL13192630 0.93 GRM5 (0.36) GRM5SMOKDM1AHCRTR2GRM4
SCHEMBL12987181 0.93 GRM5 (0.36) GRM5SMOKDM1AHCRTR2GRM4
SCHEMBL12987104 0.92 GRM5 (0.36) GRM5KDM1AGRM4PIK3CAPIK3R1
SCHEMBL12987374 0.91 SMO (0.40) GRM5SMOHCRTR2FFAR1FFAR4
SCHEMBL12987592 0.87 GRIA2 (0.35) GRM5HCRTR2GRIA2XDH
SCHEMBL15420624 0.86 SMO (0.40) GRM5SMOKDM1AHCRTR2GRIA2
SCHEMBL15441169 0.86 SMO (0.40) GRM5SMOKDM1AHCRTR2GRIA2
SCHEMBL15420813 0.85 GRIA2 (0.48) GRM5SMOHCRTR2GRIA2XDH

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 GRM5 9/4885SMO 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.