SCHEMBL18545481

SCHEMBL18545481

COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(CO)c(O)c2)C1=O

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.79
▸ KMT2A Q03164 12/20 0.79
▸ POLB P06746 2/20 0.79
▸ PKM P14618 1/20 0.76
▸ HIF1AN Q9NWT6 1/20 0.71
▸ DDX3X O00571 5/20 0.69
▸ ALDH1A1 P00352 2/20 0.63
▸ NAE1 Q13564 1/20 0.59

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
SCHEMBL12008610 0.89 MEN1 (1.00) MEN1KMT2APOLBPKMHIF1AN
SCHEMBL12008612 0.87 MEN1 (0.88) MEN1KMT2APOLBPKMHIF1AN
SCHEMBL11918191 0.86 MEN1 (1.00) MEN1KMT2APOLBPKMHIF1AN
SCHEMBL12008609 0.84 KMT2A (0.82) MEN1KMT2APOLBPKMHIF1AN
SCHEMBL12008611 0.84 KMT2A (0.77) MEN1KMT2APOLBPKMHIF1AN
SCHEMBL12008608 0.79 KMT2A (0.76) MEN1KMT2APOLBPKMHIF1AN
SCHEMBL12008756 0.78 CTNNB1 (0.82) MEN1KMT2APOLBPKMHIF1AN
SCHEMBL12008586 0.77 MEN1 (1.00) MEN1KMT2APOLBDDX3XALDH1A1
SCHEMBL12008599 0.76 PTPN12 (0.91) MEN1KMT2APOLBALDH1A1
SCHEMBL12008803 0.76 MEN1 (0.81) MEN1KMT2APOLBDDX3XALDH1A1

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 MEN1 4655/4885KMT2A 4591/4885POLB 2088/4885

“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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