SCHEMBL799781

SCHEMBL799781

O=C(N[C@H](Cc1ccccn1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.56
TP53 P04637 3/20 0.56
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MDM2 Q00987 6/20 0.49
CASP3 P42574 2/20 0.48
SLC17A5 Q9NRA2 1/20 0.47
KMT2A Q03164 2/20 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
SCHEMBL30069011 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL31694964 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL29401284 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL119547 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL3725839 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL29907962 1.00 MDM4 (0.56) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL22444670 0.90 MDM4 (0.55) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL29989253 0.89 MDM4 (0.58) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL31688511 0.87 GPR132 (0.53) MDM4TP53HDAC1HDAC2MDM2
SCHEMBL29989230 0.87 MDM4 (0.56) MDM4TP53MDM2CASP3SLC17A5

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 21 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-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-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-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-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-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-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 MDM4 1148/4885TP53 2440/4885HDAC1 4493/4885
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT MDM4 1148/4885TP53 2440/4885HDAC1 4493/4885

“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.