SCHEMBL18545482

SCHEMBL18545482

O=C(CCN1C(=S)S/C(=C\c2ccc3c(c2)OCO3)C1O)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 6/20 0.65
▸ GPR35 Q9HC97 6/20 0.65
▸ PTPN22 Q9Y2R2 6/20 0.65
▸ PTPN7 P35236 5/20 0.65
▸ MEN1 O00255 7/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ POLB P06746 5/20 0.53
▸ CTDSP1 Q9GZU7 2/20 0.53
▸ BLM P54132 1/20 0.53
▸ PSMD14 O00487 2/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ DDX3X O00571 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ USP2 O75604 1/20 0.46
▸ NSD2 O96028 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALPL P05186 1/20 0.46
▸ ALPI P09923 1/20 0.46
▸ ALPG P10696 1/20 0.46

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
SCHEMBL12008765 0.81 PTPN12 (0.91) PTPN12GPR35PTPN22PTPN7MEN1
SCHEMBL12008735 0.78 PTPN12 (1.00) PTPN12GPR35PTPN22PTPN7MEN1
SCHEMBL12008591 0.75 PTPN12 (0.80) PTPN12GPR35PTPN22PTPN7MEN1
SCHEMBL18539155 0.75 GPR35 (0.63) PTPN12GPR35PTPN22PTPN7MEN1
SCHEMBL12008620 0.72 GPR35 (0.88) PTPN12GPR35PTPN22PTPN7MEN1
SCHEMBL6720199 0.70 MEN1 (0.85) PTPN12GPR35PTPN22PTPN7MEN1
SCHEMBL12008593 0.69 KMT2A (1.00) PTPN12GPR35PTPN22PTPN7MEN1
SCHEMBL12008590 0.67 KMT2A (1.00) PTPN12GPR35PTPN22PTPN7MEN1
SCHEMBL12008726 0.66 PTPN12 (0.90) PTPN12GPR35PTPN22PTPN7MEN1
SCHEMBL12008606 0.66 PTPN12 (0.76) PTPN12GPR35PTPN22PTPN7MEN1

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 PTPN12 457/4885GPR35 299/4885PTPN22 534/4885

“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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