SCHEMBL15420455

SCHEMBL15420455

O=S(=O)(N[C@H]1COCC[C@@H]1COc1ccc(-n2cc(Cl)cn2)cc1F)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.34
KAT5 Q92993 1/20 0.33
MAOB P27338 1/20 0.33
CYP46A1 Q9Y6A2 2/20 0.32
SCN9A Q15858 5/20 0.32
P2RX3 P56373 3/20 0.32
CHRM1 P11229 1/20 0.31
PRKCQ Q04759 1/20 0.31
P2RX4 Q99571 3/20 0.31

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
SCHEMBL15442023 0.94 MELK (0.34) MELKKAT5MAOBSCN9AP2RX3
SCHEMBL12989333 0.91 SCN9A (0.35) MELKKAT5CYP46A1SCN9AP2RX3
SCHEMBL12988551 0.90 KAT5 (0.34) MELKKAT5CYP46A1SCN9AP2RX3
SCHEMBL15420270 0.86 CYP17A1 (0.34) MELKKAT5CYP46A1CHRM1
SCHEMBL12989999 0.85 SCN9A (0.35) MELKKAT5CYP46A1SCN9AP2RX3
SCHEMBL15420237 0.85 CHRM1 (0.36) MELKKAT5CYP46A1P2RX3CHRM1
SCHEMBL15420920 0.84 KAT5 (0.34) MELKKAT5CYP46A1SCN9AP2RX3
SCHEMBL15420526 0.84 SCN9A (0.34) MELKCYP46A1SCN9APRKCQ
SCHEMBL12989671 0.84 KAT5 (0.34) MELKKAT5CYP46A1SCN9AP2RX3
SCHEMBL15420299 0.83 MELK (0.33) MELKKAT5CYP46A1SCN9AP2RX4

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 3 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-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 MELK 2394/4885KAT5 2329/4885MAOB 552/4885

“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.