SCHEMBL799782

SCHEMBL799782

COc1cccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.53
MDM4 O15151 3/20 0.52
TP53 P04637 3/20 0.52
FPR2 P25090 1/20 0.50
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
TNF P01375 1/20 0.48
CASP3 P42574 1/20 0.48
PTPN1 P18031 1/20 0.46
POLB P06746 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
SCHEMBL3230219 1.00 MDM2 (0.53) MDM2MDM4TP53FPR2ALDH1A1
SCHEMBL30229489 1.00 MDM2 (0.53) MDM2MDM4TP53FPR2ALDH1A1
SCHEMBL3728111 1.00 MDM2 (0.53) MDM2MDM4TP53FPR2ALDH1A1
SCHEMBL31369469 0.95 MDM2 (0.53) MDM2MDM4TP53FPR2ALDH1A1
SCHEMBL9170986 0.90 MDM4 (0.56) MDM2MDM4TP53TNFCASP3
SCHEMBL31688926 0.90 MDM2 (0.58) MDM2MDM4TP53FPR2ALDH1A1
SCHEMBL22444598 0.90 MDM2 (0.56) MDM2MDM4TP53TNFCASP3
SCHEMBL7534535 0.89 MDM4 (0.49) MDM2MDM4TP53TNFCASP3
SCHEMBL30640434 0.89 MDM4 (0.49) MDM2MDM4TP53TNFCASP3
SCHEMBL2310132 0.89 MDM2 (0.60) MDM2MDM4TP53FPR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US disclosed
US-8318717-B2 Tetrapeptide capable of inhibiting binding of the Smac protein to Inhibitors of apoptosis, thus promoting apoptosis or sensitizing cells; antiproliferative and anticarcinogenic agents 2CUREX (DK) 2012-11-27 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-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-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US disclosed
US-20090239755-A1 Identification of Compounds Modifying A Cellular Response 2CUREX (DK) 2009-09-24 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-20080194537-A1 Compounds Modifying Apoptosis 2CUREX (DK) 2008-08-14 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 (5 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 MDM2 1923/4885MDM4 1148/4885TP53 2440/4885
US-20080194537-A1 Compounds Modifying Apoptosis API5, BAX, BAD MDM2 165/4885MDM4 486/4885TP53 32/4885
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT MDM2 1923/4885MDM4 1148/4885TP53 2440/4885
US-20090239755-A1 Identification of Compounds Modifying A Cellular Response MCL1, PMAIP1, CDC37 MDM2 360/4885MDM4 169/4885TP53 18/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A MDM2 1236/4885MDM4 1060/4885TP53 573/4885

“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.