SCHEMBL800126

SCHEMBL800126

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.56
MDM4 O15151 3/20 0.56
TP53 P04637 3/20 0.56
MDM2 Q00987 3/20 0.50
TLR2 O60603 2/20 0.49
TNF P01375 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL25173084 1.00 CASP3 (0.56) CASP3MDM4TP53MDM2TLR2
SCHEMBL14570616 1.00 CASP3 (0.56) CASP3MDM4TP53MDM2TLR2
SCHEMBL14559793 0.90 CASP3 (0.58) CASP3MDM4TP53MDM2TLR2
SCHEMBL12138344 0.90 CASP3 (0.58) CASP3MDM4TP53MDM2TLR2
SCHEMBL5385200 0.90 CASP3 (0.58) CASP3MDM4TP53MDM2TLR2
SCHEMBL13050014 0.90 CASP3 (0.53) CASP3MDM4TP53MDM2TLR2
SCHEMBL18982752 0.88 MDM4 (0.56) CASP3MDM4TP53MDM2KMT2A
SCHEMBL18982750 0.88 MDM4 (0.56) CASP3MDM4TP53MDM2KMT2A
SCHEMBL378040 0.88 CASP3 (0.64) CASP3MDM4TP53MDM2KMT2A
SCHEMBL1486199 0.88 CASP3 (0.64) CASP3MDM4TP53MDM2KMT2A

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 19 patents. 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-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-7972994-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2011-07-05 US disclosed
US-7972994-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (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-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 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-7193034-B2 Synthetic peptides, conjugation reagents and methods REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-20 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 (2 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 CASP3 4851/4885MDM4 1148/4885TP53 2440/4885
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT CASP3 4851/4885MDM4 1148/4885TP53 2440/4885

“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.