SCHEMBL18545596

SCHEMBL18545596

Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.68
CTNNB1 P35222 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
POLB P06746 7/20 0.65
MEN1 O00255 9/20 0.60
KMT2A Q03164 9/20 0.60
MAPT P10636 9/20 0.60
ALDH1A1 P00352 7/20 0.60
MAPK1 P28482 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 2/20 0.60
HTT P42858 2/20 0.60
RECQL P46063 1/20 0.60
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MYC P01106 1/20 0.55
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
S1PR4 O95977 1/20 0.52

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
SCHEMBL12009043 1.00 TCF4 (0.68) TCF4CTNNB1HDAC6POLBMEN1
SCHEMBL12009010 0.92 MEN1 (0.58) TCF4CTNNB1HDAC6POLBMEN1
SCHEMBL12009114 0.91 TCF4 (0.79) TCF4CTNNB1HDAC6POLBMEN1
SCHEMBL12006922 0.91 TCF4 (0.79) TCF4CTNNB1HDAC6POLBMEN1
SCHEMBL18545525 0.91 TCF4 (0.79) TCF4CTNNB1HDAC6POLBMEN1
SCHEMBL18545431 0.91 POLB (0.62) TCF4CTNNB1HDAC6POLBMEN1
SCHEMBL13446959 0.91 POLB (0.62) TCF4CTNNB1HDAC6POLBMEN1
SCHEMBL12009077 0.91 POLB (0.79) TCF4CTNNB1HDAC6POLBMEN1
SCHEMBL18545611 0.91 POLB (0.79) TCF4CTNNB1HDAC6POLBMEN1
SCHEMBL18545470 0.90 TCF4 (0.63) TCF4CTNNB1HDAC6POLBMEN1

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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 TCF4 24/4885CTNNB1 1/4885HDAC6 74/4885

“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.