SCHEMBL29447512

SCHEMBL29447512

CC(C)(C)OC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.52
▸ KLK5 Q9Y337 1/20 0.52
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ PTPN1 P18031 4/20 0.48
▸ TNF P01375 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ MDM2 Q00987 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
SCHEMBL20418498 1.00 KLK7 (0.52) KLK7KLK5MDM4TP53PTPN1
SCHEMBL27032862 0.92 HDAC1 (0.48) KLK7KLK5MDM4TP53PTPN1
SCHEMBL27128254 0.92 HDAC1 (0.48) KLK7KLK5MDM4TP53PTPN1
SCHEMBL31348948 0.92 HDAC1 (0.48) KLK7KLK5MDM4TP53PTPN1
SCHEMBL31348954 0.92 HDAC1 (0.48) KLK7KLK5MDM4TP53PTPN1
SCHEMBL15883745 0.92 HDAC1 (0.48) KLK7KLK5MDM4TP53PTPN1
SCHEMBL29554781 0.92 HDAC1 (0.48) KLK7KLK5MDM4TP53PTPN1
SCHEMBL2439000 0.89 MDM4 (0.50) MDM4TP53CASP3MDM2
SCHEMBL13163967 0.87 CASP3 (0.57) MDM4TP53CASP3MDM2
SCHEMBL119962 0.87 TNF (0.56) MDM4TP53PTPN1TNFCASP3

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-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors UNIVERSITY OF HAWAII (US) 2022-04-12 — — 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-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors STAT3, JAK2, STAT5A KLK7 4817/4885KLK5 4839/4885MDM4 3843/4885

“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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