SCHEMBL5493695

SCHEMBL5493695

CCOP(=O)(OCC)C(F)(F)c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.49
MDM4 O15151 3/20 0.47
TP53 P04637 3/20 0.47
PTPN1 P18031 2/20 0.47
CASP3 P42574 1/20 0.43
TLR2 O60603 2/20 0.42

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
SCHEMBL9247661 0.91 MDM2 (0.48) MDM2MDM4TP53PTPN1CASP3
SCHEMBL9136556 0.89 MDM2 (0.49) MDM2MDM4TP53PTPN1CASP3
SCHEMBL9136558 0.89 MDM2 (0.49) MDM2MDM4TP53PTPN1CASP3
SCHEMBL8933064 0.88 MDM2 (0.52) MDM2MDM4TP53PTPN1CASP3
SCHEMBL5488292 0.87 MDM4 (0.44) MDM2MDM4TP53PTPN1CASP3
SCHEMBL2304920 0.86 MDM2 (0.59) MDM2MDM4TP53PTPN1CASP3
SCHEMBL3724885 0.86 MDM2 (0.59) MDM2MDM4TP53PTPN1CASP3
SCHEMBL2304915 0.86 MDM2 (0.59) MDM2MDM4TP53PTPN1CASP3
SCHEMBL30686153 0.86 MDM2 (0.59) MDM2MDM4TP53PTPN1CASP3
SCHEMBL29445591 0.86 MDM2 (0.59) MDM2MDM4TP53PTPN1CASP3

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-20070161542-A1 Ptb1b photoprobes RAMACHANDRAN CHIDAMBARAM 2007-07-12 US disclosed
WO-2005056582-A1 PTP1B PHOTOPROBES MERCK FROSST CANADA LTD. (CA) 2005-06-23 WO disclosed
US-6348572-B1 TRIPEPTIDE CONTAINING 4-PHOSPHONO(DIFLUOROMETHYL)PHENYLALANINE GROUPS; TYROSINE PHOSPHATASE AND CYSTEINE PROTEASE ASSAYS; COMPETITIVE BINDING; DIABETES, CANCER, ALZHEIMER*S DISEASE, OSTEOPOROSIS MERCK FROSST CANADA & CO. (CA) 2002-02-19 US disclosed
US-6114132-A FOR DETERMINING THE BINDING ABILITY OF A LIGAND TO A CYSTEINE-CONTAINING WILD-TYPE TYROSINE PHOSPHATASE; MEDICAL DIAGNOSIS MERCK FROSST CANADA & CO. (CA) 2000-09-05 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-20070161542-A1 Ptb1b photoprobes PTBP1, PTBP3, PPP1R1B MDM2 2575/4885MDM4 3416/4885TP53 2701/4885

“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.