SCHEMBL5472014

SCHEMBL5472014

Cc1ccsc1C(=O)C(=O)c1sccc1C

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.61
POLB P06746 2/20 0.55
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
GAA P10253 1/20 0.50
PPARG P37231 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
PKM P14618 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
NAMPT P43490 1/20 0.45
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11515554 0.89 GSK3B (0.55) GSK3BPOLBNPC1RAB9AGAA
SCHEMBL3532775 0.89 GSK3B (0.55) GSK3BPOLBNPC1RAB9AGAA
SCHEMBL3289108 0.85 GSK3B (0.61) GSK3BPOLBNPC1RAB9AGAA
SCHEMBL4504630 0.83 SMN1; SMN2 (0.53) GSK3BPOLBNPC1RAB9AGAA
SCHEMBL7228936 0.83 NPC1 (0.57) GSK3BPOLBNPC1RAB9AGAA
SCHEMBL10442 0.83
SCHEMBL2547012 0.83
SCHEMBL159280 0.83
SCHEMBL1373805 0.81
SCHEMBL17447436 0.81

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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF GSK3B 1035/4885POLB 430/4885NPC1 1779/4885

“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.