SCHEMBL18539160

SCHEMBL18539160

O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.84
▸ PTPN12 Q05209 4/20 0.74
▸ GPR35 Q9HC97 4/20 0.74
▸ PTPN22 Q9Y2R2 4/20 0.74
▸ MEN1 O00255 10/20 0.65
▸ KMT2A Q03164 10/20 0.65
▸ POLB P06746 7/20 0.65
▸ TDP1 Q9NUW8 4/20 0.63
▸ USP2 O75604 1/20 0.63
▸ NSD2 O96028 1/20 0.63
▸ ALPL P05186 1/20 0.63
▸ ALPI P09923 1/20 0.63
▸ ALPG P10696 1/20 0.63
▸ SAE1 Q9UBE0 1/20 0.63
▸ UBA2 Q9UBT2 1/20 0.63
▸ CTDSP1 Q9GZU7 1/20 0.61
▸ ALDH1A1 P00352 6/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.58

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
SCHEMBL12008726 0.90 PTPN12 (0.90) NPC1PTPN12GPR35PTPN22MEN1
SCHEMBL18539156 0.90 NPC1 (0.80) NPC1PTPN12GPR35PTPN22MEN1
SCHEMBL12008709 0.85 PTPN12 (1.00) PTPN12GPR35PTPN22MEN1KMT2A
SCHEMBL31377033 0.85 NPC1 (0.72) NPC1PTPN12GPR35PTPN22MEN1
SCHEMBL31376976 0.84 NPC1 (0.71) NPC1PTPN12GPR35PTPN22MEN1
SCHEMBL12008722 0.83 PTPN12 (0.77) PTPN12GPR35PTPN22MEN1KMT2A
SCHEMBL12008606 0.82 PTPN12 (0.76) NPC1PTPN12GPR35PTPN22MEN1
SCHEMBL12008716 0.82 NPC1 (0.83) NPC1PTPN12GPR35PTPN22MEN1
SCHEMBL12008563 0.82 GPR35 (0.76) NPC1PTPN12GPR35PTPN22MEN1
SCHEMBL12008589 0.81 MEN1 (0.76) NPC1PTPN12GPR35PTPN22MEN1

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 NPC1 1604/4885PTPN12 457/4885GPR35 299/4885

“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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