SCHEMBL660184

SCHEMBL660184

CC1=C(C(=O)NNS(C)(=O)=O)CC=CN1CC(=O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CASP1 P29466 1/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.34
HPGD P15428 1/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 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
SCHEMBL660576 0.88 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL27871687 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL287773 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL661266 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GAAKDM4ETSHR
SCHEMBL660215 0.75 GAA (0.39) ALDH1A1SMN1; SMN2GAAMAPTTSHR
SCHEMBL287153 0.73 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAATSHRRAB9A
SCHEMBL287270 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL287198 0.72 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAAKDM4ETSHR
SCHEMBL659786 0.72 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
Hydrochloric Acid SCHEMBL28481984 0.71 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GAAKDM4ECASP1

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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885SMN1; SMN2 640/4885GAA 194/4885

“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.