SCHEMBL120625

SCHEMBL120625

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.58
MDM4 O15151 3/20 0.54
TP53 P04637 3/20 0.54
FPR2 P25090 3/20 0.52
CASP3 P42574 2/20 0.49
KMT2A Q03164 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
SCHEMBL20766898 1.00 MDM2 (0.58) MDM2MDM4TP53FPR2CASP3
SCHEMBL29401084 1.00 MDM2 (0.58) MDM2MDM4TP53FPR2CASP3
SCHEMBL30309094 1.00 MDM2 (0.58) MDM2MDM4TP53FPR2CASP3
SCHEMBL118297 1.00 MDM2 (0.58) MDM2MDM4TP53FPR2CASP3
SCHEMBL29401133 1.00 MDM2 (0.58) MDM2MDM4TP53FPR2CASP3
SCHEMBL31370557 0.97 MDM2 (0.60) MDM2MDM4TP53FPR2CASP3
SCHEMBL118169 0.92 MDM4 (0.59) MDM2MDM4TP53CASP3KMT2A
SCHEMBL1228254 0.92 MDM4 (0.59) MDM2MDM4TP53CASP3KMT2A
SCHEMBL119455 0.92 MDM4 (0.59) MDM2MDM4TP53CASP3KMT2A
SCHEMBL29367434 0.92 MDM4 (0.59) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345789-B2 Specific inhibitors and active site probes for legumain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-05-24 US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 US disclosed
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 US disclosed
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-10-04 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 US disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
EP-1799222-A2 COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (SE) 2007-06-27 EP disclosed
WO-2006030323-A2 COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (SE) 2006-03-23 WO 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 (3 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-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 MDM2 917/4885MDM4 1166/4885TP53 1635/4885
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN ENGASE, LGMN, DNPEP MDM2 593/4885MDM4 3624/4885TP53 1981/4885
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES SERPINB1, EPHX1, EPX MDM2 1209/4885MDM4 4374/4885TP53 939/4885

“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.