SCHEMBL800135

SCHEMBL800135

O=C(O)C[C@@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
FABP5 Q01469 3/20 0.42
FABP7 O15540 2/20 0.42
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
NR1D1 P20393 5/20 0.40
TSHR P16473 1/20 0.38
EPHX2 P34913 1/20 0.38
CASP3 P42574 1/20 0.37

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
SCHEMBL3365554 1.00 KMT2A (0.42) KMT2AFABP5FABP7DPP8DPP9
SCHEMBL29397348 1.00 KMT2A (0.42) KMT2AFABP5FABP7DPP8DPP9
SCHEMBL119635 0.84 ACE (0.52) FABP5FABP7
SCHEMBL29398714 0.84 ACE (0.52) FABP5FABP7
SCHEMBL13252698 0.84 ACE (0.52) FABP5FABP7
SCHEMBL119605 0.84 ACE (0.52) FABP5FABP7
SCHEMBL29400546 0.84 ACE (0.52) FABP5FABP7
SCHEMBL23723017 0.80 FFAR1 (0.47) KMT2AFABP5FABP7
SCHEMBL119493 0.80 FFAR1 (0.47) KMT2AFABP5FABP7
SCHEMBL20590863 0.80 FFAR1 (0.47) KMT2AFABP5FABP7

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-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-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 KMT2A 1848/4885FABP5 2281/4885FABP7 2825/4885
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT KMT2A 1848/4885FABP5 2281/4885FABP7 2825/4885

“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.