SCHEMBL799761

SCHEMBL799761

O=C(N[C@H](Cc1csc2ccccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.51
TP53 P04637 3/20 0.51
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
SLC17A5 Q9NRA2 1/20 0.47
CASP1 P29466 1/20 0.47
CASP3 P42574 2/20 0.46
MDM2 Q00987 5/20 0.45

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
SCHEMBL30182933 1.00 MDM4 (0.51) MDM4TP53CTSLCTSSCTSK
SCHEMBL29511478 1.00 MDM4 (0.51) MDM4TP53CTSLCTSSCTSK
SCHEMBL6790172 1.00 MDM4 (0.51) MDM4TP53CTSLCTSSCTSK
SCHEMBL3725892 1.00 MDM4 (0.51) MDM4TP53CTSLCTSSCTSK
SCHEMBL29444635 1.00 MDM4 (0.51) MDM4TP53CTSLCTSSCTSK
SCHEMBL6019567 0.87 CTSS (0.68) CTSLCTSSCTSK
SCHEMBL4667145 0.86 CASP3 (0.49) MDM4TP53CTSLCTSSCTSK
SCHEMBL4667142 0.86 CASP3 (0.49) MDM4TP53CTSLCTSSCTSK
SCHEMBL6019561 0.84 CTSL (0.49) MDM4TP53CTSLCTSSCTSK
SCHEMBL6019553 0.84 CTSL (0.53) MDM4TP53CTSLCTSSCTSK

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 27 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-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 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-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
EP-2344529-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THERAPEUTIC USE THEREOF IPSEN PHARMA S.A.S. (FR) 2011-07-20 EP disclosed
US-7972992-B2 Solid phase synthesis PRAECIS PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed
WO-2010037930-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THERAPEUTIC USE THEREOF IPSEN PHARMA S.A.S. (FR) 2010-04-08 WO disclosed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 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
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 MDM4 1148/4885TP53 2440/4885CTSL 3370/4885
US-20080194537-A1 Compounds Modifying Apoptosis API5, BAX, BAD MDM4 486/4885TP53 32/4885CTSL 1583/4885
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT MDM4 1148/4885TP53 2440/4885CTSL 3370/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 MDM4 4701/4885TP53 4005/4885CTSL 2651/4885

“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.