SCHEMBL800091

SCHEMBL800091

O=C(N[C@H](CCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.57
TP53 P04637 3/20 0.57
MDM2 Q00987 6/20 0.53
CASP3 P42574 2/20 0.52
TLR2 O60603 2/20 0.52
TNF P01375 1/20 0.49

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
SCHEMBL30854556 1.00 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL29401188 1.00 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL119488 1.00 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL29401751 1.00 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL2307942 1.00 MDM4 (0.57) MDM4TP53MDM2CASP3TLR2
SCHEMBL29516375 0.93 MDM4 (0.53) MDM4TP53MDM2CASP3TLR2
SCHEMBL430008 0.93 MDM2 (0.56) MDM4TP53MDM2CASP3TLR2
SCHEMBL30861860 0.93 MDM2 (0.56) MDM4TP53MDM2CASP3TLR2
SCHEMBL3732565 0.93 MDM2 (0.56) MDM4TP53MDM2CASP3TLR2
SCHEMBL3733904 0.93 MDM2 (0.56) MDM4TP53MDM2CASP3TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 US disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
EP-3773555-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-02-17 EP disclosed
WO-2019186164-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2019-10-03 WO disclosed
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-9345789-B2 Specific inhibitors and active site probes for legumain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-05-24 US disclosed
US-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC (US) 2014-09-04 US disclosed
US-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC (US) 2014-09-04 US disclosed
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 US disclosed
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 US disclosed
WO-2007117404-A9 METHODS AND MATERIALS FOR PREPARING ORGANIC COMPOUNDS FROM PRIMARY AMINES UNIV VIRGINIA (US) 2007-11-29 WO disclosed
WO-2007117404-A2 METHODS AND MATERIALS FOR PREPARING ORGANIC COMPOUNDS FROM PRIMARY AMINES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-10-18 WO 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
US-20030225272-A1 Novel mmp-2/mmp-9 inhibitors SMITHKLINE BEECHAM CORPORATION 2003-12-04 US disclosed
WO-2001026671-A1 METHODS OF TREATMENT USING DUAL MATRIX-METALLOPROTEINASE-2 AND MATRIX METALLOPROTEINASE-9 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-19 WO disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 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 (5 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-20030225272-A1 Novel mmp-2/mmp-9 inhibitors MMP9, MMP10, MMP3 MDM4 3210/4885TP53 2656/4885MDM2 1123/4885
US-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 MDM4 3892/4885TP53 1996/4885MDM2 1644/4885
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 MDM4 3892/4885TP53 1996/4885MDM2 1644/4885
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 MDM4 4205/4885TP53 4817/4885MDM2 4846/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 MDM4 4205/4885TP53 4817/4885MDM2 4846/4885

“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.