SCHEMBL5486443

SCHEMBL5486443

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.47
PTPRB P23467 2/20 0.44
SUCNR1 Q9BXA5 5/20 0.41
PPARA Q07869 2/20 0.41
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
CTSL P07711 2/20 0.40
POLB P06746 1/20 0.40
P4HB P07237 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSA P10619 1/20 0.40
PPARG P37231 1/20 0.40
SCN9A Q15858 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL1928548 0.88 SSTR3 (0.46) SSTR3PTPRBPPARACTSSCTSK
SCHEMBL394603 0.88 PTPRB (0.52) SSTR3PTPRBPPARACTSSCTSK
SCHEMBL394602 0.88 PTPRB (0.52) SSTR3PTPRBPPARACTSSCTSK
SCHEMBL1197796 0.88 CYP17A1 (0.40) SSTR3PTPRBSUCNR1MAPTSCN9A
SCHEMBL14268345 0.87 KLK7 (0.47) SSTR3PTPRBPPARACTSSCTSL
SCHEMBL14268346 0.87 KLK7 (0.47) SSTR3PTPRBPPARACTSSCTSL
SCHEMBL27571238 0.86 CTSK (0.50) SSTR3PTPRBPPARACTSSCTSK
SCHEMBL27571239 0.86 CTSK (0.50) SSTR3PTPRBPPARACTSSCTSK
SCHEMBL1928018 0.86 SSTR3 (0.45) SSTR3PTPRBPPARACTSSCTSK
SCHEMBL2073125 0.86 SSTR3 (0.43) SSTR3PTPRBCTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021420-A1 New derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments SCRAS 2007-01-25 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-20070021420-A1 New derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments ADCYAP1R1, HPRT1, ALPI SSTR3 172/4885PTPRB 488/4885SUCNR1 2433/4885

“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.