SCHEMBL18545575

SCHEMBL18545575

Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 1/20 0.58
▸ CTNNB1 P35222 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ ALDH1A1 P00352 7/20 0.56
▸ MAPT P10636 7/20 0.56
▸ MAPK1 P28482 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ NPSR1 Q6W5P4 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ HTT P42858 3/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ XBP1 P17861 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56

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
SCHEMBL12009076 1.00 TCF4 (0.58) TCF4CTNNB1HDAC6ALDH1A1MAPT
SCHEMBL12009101 0.90 TCF4 (0.58) TCF4CTNNB1HDAC6ALDH1A1MAPT
SCHEMBL18545515 0.89 TCF4 (0.58) TCF4CTNNB1HDAC6ALDH1A1MAPT
SCHEMBL12009046 0.89 TCF4 (0.58) TCF4CTNNB1HDAC6ALDH1A1MAPT
SCHEMBL18545601 0.87 TCF4 (0.55) TCF4CTNNB1HDAC6ALDH1A1MAPT
SCHEMBL12009072 0.87 TCF4 (0.55) TCF4CTNNB1HDAC6ALDH1A1MAPT
SCHEMBL12009714 0.87 TCF4 (0.55) TCF4CTNNB1HDAC6ALDH1A1MAPT
SCHEMBL12009081 0.86 TCF4 (0.64) TCF4CTNNB1HDAC6ALDH1A1MAPT
SCHEMBL18545493 0.86 TCF4 (0.64) TCF4CTNNB1HDAC6ALDH1A1MAPT
SCHEMBL13464589 0.86 TCF4 (0.59) TCF4CTNNB1HDAC6ALDH1A1MAPT

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.

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