SCHEMBL5793038

SCHEMBL5793038

COC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.50
MDM4 O15151 2/20 0.46
TP53 P04637 2/20 0.46
CASP3 P42574 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN1 P18031 2/20 0.45
ATM Q13315 1/20 0.44
EPHX2 P34913 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
SCHEMBL5887543 1.00 MDM2 (0.50) MDM2MDM4TP53CASP3KMT2A
SCHEMBL5887246 0.91 MDM2 (0.49) MDM2MDM4TP53CASP3KMT2A
SCHEMBL5887250 0.91 MDM2 (0.49) MDM2MDM4TP53CASP3KMT2A
SCHEMBL13743302 0.91 ATM (0.53) MDM4TP53CASP3ATM
SCHEMBL12531899 0.91 ATM (0.53) MDM4TP53CASP3ATM
SCHEMBL2977877 0.91 ATM (0.53) MDM4TP53CASP3ATM
SCHEMBL29401932 0.91 ATM (0.53) MDM4TP53CASP3ATM
SCHEMBL5887683 0.90 MDM2 (0.48) MDM2MDM4TP53CASP3KMT2A
SCHEMBL5887688 0.90 MDM2 (0.48) MDM2MDM4TP53CASP3KMT2A
SCHEMBL21838224 0.90 MDM4 (0.52) MDM2MDM4TP53CASP3KMT2A

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-7091373-B2 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-15 US disclosed
WO-2006037090-A2 DRUG-PHOSPHATE CONJUGATES AS PRODRUGS PURDUE RESEARCH FOUNDATION (US) 2006-04-06 WO disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP 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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH MDM2 605/4885MDM4 1405/4885TP53 4249/4885

“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.