SCHEMBL1809121

SCHEMBL1809121

CCOc1cccc(SC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.50
MMP13 P45452 3/20 0.50
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
GCK P35557 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL22324973 0.87 MEN1 (0.54) GPR119GCKMEN1ALDH1A1KMT2A
SCHEMBL1808012 0.86 DDB1 (0.49) DDB1CRBNKDM4EMEN1ALDH1A1
SCHEMBL4777196 0.86 GPR119 (0.59) GPR119MMP13KDM4EMEN1USP2
SCHEMBL1810911 0.84 GPR119 (0.50) GPR119GCKMEN1ALDH1A1KMT2A
SCHEMBL21626597 0.82 GPR119 (0.62) GPR119GCKKDM4EMEN1MAPT
SCHEMBL22156939 0.81 GPR119 (0.49) GPR119GCKKDM4EMAPTPKM
SCHEMBL16818208 0.81 GPR119 (0.52) GPR119GCKKDM4EMEN1MAPT
SCHEMBL3128872 0.81 GPR119 (0.61) GPR119KDM4EMEN1GAAKMT2A
SCHEMBL4778134 0.80 GPR119 (0.52) GPR119GCKKDM4EMEN1ALDH1A1
SCHEMBL1498332 0.80 STS (0.49) GPR119GCKMEN1MAPTKMT2A

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
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B GPR119 792/4885MMP13 4272/4885DDB1 4098/4885

“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.