SCHEMBL4280955

SCHEMBL4280955

Cc1csc(SCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
PKM P14618 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4281381 0.86 HTR1A (0.44) GAAPKMSMN1; SMN2ALDH1A1MAPT
SCHEMBL4289928 0.83 GAA (0.34) GAAPKMSMN1; SMN2ALDH1A1HPGD
SCHEMBL4287247 0.81
SCHEMBL4283274 0.80 GAA (0.44) GAAPKMSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4284863 0.78 GAA (0.40) GAAPKMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4292362 0.75 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KDM4EHPGDMAPT
SCHEMBL4281174 0.73 ALDH1A1 (0.46) PKMSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4296626 0.72 KMT2A (0.46) GAASMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL4281522 0.68 KDM4E (0.35) ALDH1A1KDM4EHPGDLMNAMEN1
SCHEMBL4281250 0.68 KDM4E (0.46) PKMALDH1A1KDM4ELMNAPOLB

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 GAA 1381/4885PKM 847/4885SMN1; SMN2 4811/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GAA 1381/4885PKM 847/4885SMN1; SMN2 4811/4885

“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.