Sugi Predict

Sugi Predict / Compounds / SCHEMBL15420773

SCHEMBL15420773

SCHEMBL15420773

COc1cnn(-c2ccc(OC[C@H]3COCC[C@@H]3NS(C)(=O)=O)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.36
▸ CHRM1 P11229 2/20 0.35
▸ HCRTR2 O43614 3/20 0.34
▸ PKM P14618 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ INSR P06213 3/20 0.33
▸ ALK Q9UM73 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PDE1A P54750 2/20 0.33
▸ PDE1B Q01064 2/20 0.33
▸ PDE1C Q14123 2/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ GCGR P47871 1/20 0.32
▸ HPGDS O60760 1/20 0.32

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
SCHEMBL15420704 0.92 MKNK1 (0.35) MKNK1CHRM1PKMHRH3CA12
SCHEMBL15420247 0.91 MKNK1 (0.35) MKNK1CHRM1PKMHRH3CA12
SCHEMBL12989034 0.89 GABRA1 (0.33) CHRM1HCRTR2HRH3PDE1APDE1B
SCHEMBL15420689 0.89 CHRM1 (0.35) MKNK1CHRM1HCRTR2HRH3INSR
SCHEMBL15420318 0.89 CHRM1 (0.35) MKNK1CHRM1HCRTR2HRH3INSR
SCHEMBL15420115 0.89 CHRM1 (0.35) MKNK1CHRM1HCRTR2HRH3INSR
SCHEMBL15441641 0.88 CHRM1 (0.36) MKNK1CHRM1HCRTR2HRH3INSR
SCHEMBL15420040 0.88 CHRM1 (0.36) MKNK1CHRM1HCRTR2HRH3INSR
SCHEMBL15420434 0.87 GCGR (0.38) CHRM1HCRTR2HRH3CA12CA2
SCHEMBL15420611 0.87 GCGR (0.38) CHRM1HCRTR2HRH3CA12CA2

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 MKNK1 3233/4885CHRM1 227/4885HCRTR2 383/4885

“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.