SCHEMBL800302

SCHEMBL800302

COc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.56
PTPN1 P18031 5/20 0.52
MDM4 O15151 2/20 0.51
TP53 P04637 2/20 0.51
MDM2 Q00987 1/20 0.49
LDHA P00338 1/20 0.49
CASP3 P42574 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
TNF P01375 1/20 0.47

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
SCHEMBL800161 1.00 FPR2 (0.56) FPR2PTPN1MDM4TP53MDM2
SCHEMBL1405761 1.00 FPR2 (0.56) FPR2PTPN1MDM4TP53MDM2
SCHEMBL29679506 1.00 FPR2 (0.56) FPR2PTPN1MDM4TP53MDM2
SCHEMBL31688724 0.93 MDM4 (0.52) FPR2PTPN1MDM4TP53MDM2
SCHEMBL27224867 0.92 PTPN1 (0.49) FPR2PTPN1MDM4TP53MDM2
SCHEMBL22444707 0.92 MDM4 (0.50) FPR2PTPN1MDM4TP53MDM2
SCHEMBL27232139 0.92 PTPN1 (0.49) FPR2PTPN1MDM4TP53MDM2
SCHEMBL10016955 0.92 PTPN1 (0.49) FPR2PTPN1MDM4TP53MDM2
SCHEMBL30945370 0.92 PTPN1 (0.49) FPR2PTPN1MDM4TP53MDM2
SCHEMBL30945371 0.92 PTPN1 (0.49) FPR2PTPN1MDM4TP53MDM2

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 22 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-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-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-20110136697-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES PRAECIS PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-20110136697-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES PRAECIS PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 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-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 (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 FPR2 1900/4885PTPN1 4052/4885MDM4 1148/4885
US-20080194537-A1 Compounds Modifying Apoptosis API5, BAX, BAD FPR2 3781/4885PTPN1 3276/4885MDM4 486/4885
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT FPR2 1900/4885PTPN1 4052/4885MDM4 1148/4885
US-20090239755-A1 Identification of Compounds Modifying A Cellular Response MCL1, PMAIP1, CDC37 FPR2 3187/4885PTPN1 4546/4885MDM4 169/4885

“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.