SCHEMBL15440845

SCHEMBL15440845

CC(C)c1ccc(OC[C@H]2CCCC[C@@H]2NS(=O)(=O)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
GRIA4 P48058 13/20 0.44
GRIA2 P42262 1/20 0.41
UBE2N P61088 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GRM2 Q14416 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15420274 1.00 KMT2A (0.45) KMT2AGRIA4GRIA2UBE2NLMNA
SCHEMBL15420276 1.00 KMT2A (0.45) KMT2AGRIA4GRIA2UBE2NLMNA
SCHEMBL15420749 0.88 KMT2A (0.45) KMT2AUBE2NLMNAALDH1A1GAA
SCHEMBL12987874 0.88 KMT2A (0.45) KMT2AUBE2NLMNAALDH1A1GAA
SCHEMBL15440843 0.88 KMT2A (0.45) KMT2AUBE2NLMNAALDH1A1GAA
SCHEMBL15420346 0.88 KMT2A (0.45) KMT2AUBE2NLMNAALDH1A1GAA
SCHEMBL12987876 0.88 KMT2A (0.45) KMT2AUBE2NLMNAALDH1A1GAA
SCHEMBL12987970 0.87 GRIA4 (0.48) GRIA4GRIA2
SCHEMBL12987035 0.87 KMT2A (0.44) KMT2AUBE2NLMNAALDH1A1GAA
SCHEMBL15440976 0.87 GRIA4 (0.48) GRIA4GRIA2

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 KMT2A 542/4885GRIA4 6/4885GRIA2 12/4885

“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.