SCHEMBL13446873

SCHEMBL13446873

O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 15/20 0.83
▸ MEN1 O00255 13/20 0.83
▸ CTDSP1 Q9GZU7 7/20 0.83
▸ BLM P54132 1/20 0.83
▸ TDP1 Q9NUW8 4/20 0.79
▸ POLB P06746 7/20 0.67
▸ NPC1 O15118 3/20 0.67
▸ RAB9A P51151 2/20 0.64
▸ PTPN12 Q05209 4/20 0.63
▸ GPR35 Q9HC97 4/20 0.63
▸ PTPN22 Q9Y2R2 4/20 0.63
▸ PTPN7 P35236 3/20 0.63
▸ GPR55 Q9Y2T6 2/20 0.63
▸ NPSR1 Q6W5P4 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ PSMD14 O00487 2/20 0.56
▸ MMP2 P08253 1/20 0.55

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
SCHEMBL12008604 0.91 KMT2A (1.00) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL17319549 0.91 KMT2A (1.00) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL18539157 0.85 KMT2A (0.84) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL31377010 0.84 KMT2A (0.75) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL12008572 0.83 KMT2A (0.89) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL12008778 0.81 KMT2A (0.90) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL12008592 0.80 KMT2A (1.00) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL12008570 0.79 KMT2A (1.00) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL17319563 0.79 KMT2A (0.83) KMT2AMEN1CTDSP1BLMTDP1
SCHEMBL17319553 0.79 KMT2A (1.00) KMT2AMEN1CTDSP1BLMTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173871-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-11-03 — — US disclosed
US-9173871-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-11-03 — — US disclosed
US-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF UNITED STATES GOVERNMENT 2012-10-18 — — US disclosed
US-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF UNITED STATES GOVERNMENT 2012-10-18 — — 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-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4503/4885MEN1 3747/4885CTDSP1 3470/4885

“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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