SCHEMBL13382809

SCHEMBL13382809

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.49
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ TNF P01375 1/20 0.43

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
SCHEMBL14586399 1.00 CASP3 (0.49) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL13256282 0.87 CASP3 (0.54) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL14586400 0.87 CASP3 (0.54) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL13382807 0.87 CASP3 (0.54) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL7163160 0.86 CASP3 (0.61) CASP3MDM4TP53KMT2AMDM2
SCHEMBL13382806 0.86 CASP3 (0.61) CASP3MDM4TP53KMT2AMDM2
SCHEMBL5055623 0.85 CASP3 (0.45) CASP3MDM4TP53KMT2AMDM2
SCHEMBL19157353 0.85 TLR2 (0.48) CASP3MDM4TP53KMT2AMDM2
SCHEMBL19529036 0.85 TLR2 (0.48) CASP3MDM4TP53KMT2AMDM2
SCHEMBL13863441 0.84 KMT2A (0.53) CASP3MDM4TP53KMT2AEPHX2

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-20100086957-A1 METHOD FOR MONITORING INTRACELLULAR TYROSINE PHOSPHATASE ACTIVITY UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-04-08 — — 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-20100086957-A1 METHOD FOR MONITORING INTRACELLULAR TYROSINE PHOSPHATASE ACTIVITY PTPRCAP, PTPRC, PTPA CASP3 3800/4885MDM4 1983/4885TP53 587/4885

“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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