SCHEMBL4287154

SCHEMBL4287154

CCOC(=O)c1sc(C)nc1OCC[C@@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
GSK3B P49841 3/20 0.36
ROCK2 O75116 1/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HCRTR1 O43613 3/20 0.33
HSD11B1 P28845 1/20 0.33
DRD4 P21917 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HCRTR2 O43614 2/20 0.32
CYP1A2 P05177 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
SCHEMBL4285826 0.81 GAA (0.43) TSHRALDH1A1HTTGAAHSD17B10
SCHEMBL4292598 0.73 PDE4B (0.37) ALDH1A1HSD17B10NPC1MAPTSMN1; SMN2
SCHEMBL4287203 0.73 CYP3A4 (0.41) NPC1SMN1; SMN2HCRTR1HCRTR2CYP1A2
SCHEMBL20654264 0.71 NPC1 (0.51) TSHRALDH1A1HTTGAAHSD17B10
SCHEMBL4285295 0.71 ALDH1A1 (0.47) TSHRALDH1A1HTTGAAHSD17B10
SCHEMBL4282907 0.70 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL4287782 0.70
SCHEMBL4287941 0.70 KDM4E (0.47) TSHRALDH1A1GAAL3MBTL1MAPT
SCHEMBL4287420 0.70 S1PR4 (0.38) GAAHCRTR1KMT2AKDM4EMEN1
SCHEMBL4292395 0.69 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TSHR 3226/4885ALDH1A1 388/4885HTT 4390/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TSHR 3226/4885ALDH1A1 388/4885HTT 4390/4885

“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.