SCHEMBL799703

SCHEMBL799703

O=C(O)[C@@H]1CC[C@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.51
FABP7 O15540 2/20 0.51
FFAR2 O15552 12/20 0.49
KMT2A Q03164 1/20 0.41

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
SCHEMBL3366299 1.00 FABP5 (0.51) FABP5FABP7FFAR2KMT2A
SCHEMBL31159434 1.00 FABP5 (0.51) FABP5FABP7FFAR2KMT2A
Fluoride SCHEMBL7821537 0.99 FABP5 (0.50) FABP5FABP7FFAR2KMT2A
SCHEMBL31370144 0.93 FABP5 (0.49) FABP5FABP7FFAR2KMT2A
SCHEMBL31369486 0.92 ACE (0.47) FABP5FABP7FFAR2
SCHEMBL13259973 0.91 FABP5 (0.46) FABP5FABP7FFAR2KMT2A
SCHEMBL31369417 0.89 FFAR2 (0.44) FABP5FABP7FFAR2
SCHEMBL31370160 0.88 FFAR2 (0.41) FABP5FABP7FFAR2
SCHEMBL31369524 0.87 FFAR2 (0.56) FABP5FABP7FFAR2
SCHEMBL8124433 0.85 FABP5 (0.49) FABP5FABP7FFAR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100297-A1 BISTHIAZOLE COMPOUNDS THAT CAN BE USED TO TREAT CANCER UNIVERSIDAD DE BARCELONA (ES) 2010-09-10 WO claimed
US-9150899-B2 Identification of compounds modifying a cellular response 2CUREX (DK) 2015-10-06 US disclosed
US-20130123140-A1 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE 2CUREX (DK) 2013-05-16 US disclosed
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
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP 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
EP-1773348-A2 TETRAPEPTIDE ANALOGS Idun Pharmaceuticals, Inc. (US) 2007-04-18 EP 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
WO-2006017295-A2 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS, INC. (US) 2006-02-16 WO disclosed
US-20030050248-A1 Novel amino acid and peptide inhibitors of Staphylococcus virulence PANORAMA RESEARCH, INC. 2003-03-13 US disclosed
EP-1261362-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE Intermune, Inc. (US) 2002-12-04 EP disclosed
WO-2001058471-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE INTERMUNE, INC. (US) 2001-08-16 WO 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 FABP5 2281/4885FABP7 2825/4885FFAR2 4704/4885
US-20080194537-A1 Compounds Modifying Apoptosis API5, BAX, BAD FABP5 618/4885FABP7 2332/4885FFAR2 4631/4885

“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.