SCHEMBL12989883

SCHEMBL12989883

Cc1cnn(-c2ccc(OCC3COCCC3NC(=O)O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.42
KAT5 Q92993 1/20 0.39
RIPK2 O43353 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GCGR P47871 1/20 0.37
AXL P30530 3/20 0.36
MERTK Q12866 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
ACACB O00763 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
DDX3X O00571 1/20 0.34

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
SCHEMBL12989884 1.00 CHRM1 (0.42) CHRM1KAT5RIPK2HRH3GCGR
SCHEMBL15419934 0.90 CHRM1 (0.40) CHRM1KAT5RIPK2HRH3AXL
SCHEMBL12989206 0.90 CHRM1 (0.40) CHRM1KAT5RIPK2HRH3AXL
SCHEMBL15419935 0.90 CHRM1 (0.40) CHRM1KAT5RIPK2HRH3AXL
SCHEMBL12989171 0.90 CHRM1 (0.40) CHRM1RIPK2HRH3GCGRAXL
SCHEMBL15420585 0.90 CHRM1 (0.40) CHRM1RIPK2HRH3GCGRAXL
SCHEMBL12989178 0.90 CHRM1 (0.40) CHRM1RIPK2HRH3GCGRAXL
SCHEMBL15420612 0.88 GCGR (0.44) CHRM1RIPK2HRH3GCGR
SCHEMBL15420531 0.86 SYK (0.39) CHRM1KAT5RIPK2AXLMERTK
SCHEMBL15420260 0.86 KAT5 (0.40) CHRM1KAT5RIPK2HCRTR2

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 6 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
EP-2694472-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2014-02-12 EP disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
WO-2012137982-A9 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-14 WO disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 WO 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 CHRM1 227/4885KAT5 2329/4885RIPK2 3786/4885

“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.