SCHEMBL18539155

SCHEMBL18539155

O=C(CCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=S)Nc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 4/20 0.63
▸ PTPN7 P35236 3/20 0.63
▸ PTPN12 Q05209 3/20 0.63
▸ PTPN22 Q9Y2R2 3/20 0.63
▸ KMT2A Q03164 9/20 0.62
▸ MEN1 O00255 8/20 0.62
▸ POLB P06746 4/20 0.62
▸ CTDSP1 Q9GZU7 2/20 0.62
▸ BLM P54132 1/20 0.62
▸ DDX3X O00571 2/20 0.58
▸ MAPT P10636 3/20 0.56
▸ PSMD14 O00487 1/20 0.56
▸ MMP2 P08253 1/20 0.56
▸ GPR55 Q9Y2T6 1/20 0.56
▸ NPC1 O15118 1/20 0.53
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL12008591 0.89 PTPN12 (0.80) GPR35PTPN7PTPN12PTPN22KMT2A
SCHEMBL12008620 0.84 GPR35 (0.88) GPR35PTPN7PTPN12PTPN22KMT2A
SCHEMBL12008765 0.82 PTPN12 (0.91) GPR35PTPN7PTPN12PTPN22KMT2A
SCHEMBL6720199 0.78 MEN1 (0.85) GPR35PTPN7PTPN12PTPN22KMT2A
SCHEMBL12008735 0.77 PTPN12 (1.00) GPR35PTPN7PTPN12PTPN22KMT2A
SCHEMBL18539157 0.77 KMT2A (0.84) GPR35PTPN7PTPN12PTPN22KMT2A
SCHEMBL18539158 0.76 DDX3X (0.84) GPR35PTPN7PTPN12PTPN22KMT2A
SCHEMBL12008593 0.76 KMT2A (1.00) GPR35PTPN7PTPN12PTPN22KMT2A
SCHEMBL18545482 0.75 PTPN12 (0.65) GPR35PTPN7PTPN12PTPN22KMT2A
SCHEMBL12008590 0.74 KMT2A (1.00) GPR35PTPN7PTPN12PTPN22KMT2A

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 2 patents. 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
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 GPR35 299/4885PTPN7 190/4885PTPN12 457/4885

“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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