SCHEMBL800090

SCHEMBL800090

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.56
TP53 P04637 3/20 0.56
TLR2 O60603 2/20 0.55
MDM2 Q00987 6/20 0.52
KMT2A Q03164 2/20 0.51
CASP3 P42574 2/20 0.51
SLC17A5 Q9NRA2 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL5182292 1.00 MDM4 (0.56) MDM4TP53TLR2MDM2KMT2A
SCHEMBL119475 1.00 MDM4 (0.56) MDM4TP53TLR2MDM2KMT2A
SCHEMBL29352431 1.00 MDM4 (0.56) MDM4TP53TLR2MDM2KMT2A
SCHEMBL29908079 1.00 MDM4 (0.56) MDM4TP53TLR2MDM2KMT2A
SCHEMBL29682425 1.00 MDM4 (0.56) MDM4TP53TLR2MDM2KMT2A
SCHEMBL29401101 1.00 MDM4 (0.56) MDM4TP53TLR2MDM2KMT2A
SCHEMBL27435787 0.94 MDM2 (0.56) MDM4TP53TLR2MDM2KMT2A
SCHEMBL29694496 0.93 PTPN1 (0.58) MDM4TP53TLR2MDM2KMT2A
SCHEMBL30929979 0.92 TLR2 (0.49) MDM4TP53TLR2MDM2KMT2A
SCHEMBL30255589 0.92 TLR2 (0.49) MDM4TP53TLR2MDM2KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 WO disclosed
US-8410028-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8410028-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2012-09-27 US disclosed
US-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2012-09-27 US disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
US-7972992-B2 Solid phase synthesis PRAECIS PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed
US-7972992-B2 Solid phase synthesis PRAECIS PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-20070224607-A1 Methods for identifying compounds of interest using encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-09-27 US disclosed
US-20070224607-A1 Methods for identifying compounds of interest using encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-09-27 US disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 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 (4 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-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT MDM4 1148/4885TP53 2440/4885TLR2 2989/4885
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR MDM4 4381/4885TP53 3992/4885TLR2 2076/4885
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT MDM4 1148/4885TP53 2440/4885TLR2 2989/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR MDM4 4381/4885TP53 3992/4885TLR2 2076/4885

“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.