SCHEMBL12059890

SCHEMBL12059890

O=C(O)COc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ PTPN1 P18031 3/20 0.50
▸ ITGB3 P05106 7/20 0.49
▸ ITGA2B P08514 7/20 0.49
▸ CASP3 P42574 2/20 0.48
▸ MDM2 Q00987 1/20 0.47
▸ GPR34 Q9UPC5 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
SCHEMBL31097650 1.00 MDM4 (0.51) MDM4TP53PTPN1ITGB3ITGA2B
SCHEMBL3725675 0.92 PTPN1 (0.51) MDM4TP53PTPN1CASP3MDM2
SCHEMBL3728097 0.92 PTPN1 (0.51) MDM4TP53PTPN1CASP3MDM2
SCHEMBL2307401 0.92 PTPN1 (0.51) MDM4TP53PTPN1CASP3MDM2
SCHEMBL29401723 0.90 ITGB3 (0.57) PTPN1ITGB3ITGA2BGPR34
SCHEMBL2305323 0.90 ITGB3 (0.57) PTPN1ITGB3ITGA2BGPR34
SCHEMBL1740226 0.90 PPARG (0.53) MDM4TP53PTPN1ITGB3ITGA2B
SCHEMBL31437101 0.90 PPARG (0.53) MDM4TP53PTPN1ITGB3ITGA2B
SCHEMBL29908019 0.90 ITGB3 (0.57) PTPN1ITGB3ITGA2BGPR34
SCHEMBL2305316 0.90 ITGB3 (0.57) PTPN1ITGB3ITGA2BGPR34

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-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 — — 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-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF STAT3, JAK2, STAT6 MDM4 3464/4885TP53 24/4885PTPN1 212/4885

“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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