SCHEMBL3725892

SCHEMBL3725892

O=C(NC(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
SCHEMBL799761 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773150-B2 Antibody peptide conjugates that have agonist activity at both the glucagon and glucagon-like peptide 1 receptors MERCK SHARP & DOHME LLC (US) 2023-10-03 US disclosed
US-20200392197-A1 ANTIBODY PEPTIDE CONJUGATES THAT HAVE AGONIST ACTIVITY AT BOTH THE GLUCAGON AND GLUCAGON-LIKE PEPTIDE 1 RECEPTORS MERCK SHARP & DOHME CORP. (US) 2020-12-17 US disclosed
US-10800826-B2 Antibody peptide conjugates that have agonist activity at both the glucagon and glucagon-like peptide 1 receptors MERCK SHARP & DOHME CORP. (US) 2020-10-13 US disclosed
US-20190071483-A1 ANTIBODY PEPTIDE CONJUGATES THAT HAVE AGONIST ACTIVITY AT BOTH THE GLUCAGON AND GLUCAGON-LIKE PEPTIDE 1 RECEPTORS MERCK SHARP & DOHME CORP. (US) 2019-03-07 US disclosed
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-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US disclosed
US-20090239755-A1 Identification of Compounds Modifying A Cellular Response 2CUREX (DK) 2009-09-24 US disclosed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 EP disclosed
US-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof JERINI AG (DE) 2008-08-14 US disclosed
EP-1703912-A1 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF Jerini AG (DE) 2006-09-27 EP disclosed
WO-2005063259-A1 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2005-07-14 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 (8 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-20190071483-A1 ANTIBODY PEPTIDE CONJUGATES THAT HAVE AGONIST ACTIVITY AT BOTH THE GLUCAGON AND GLUCAGON-LIKE PEPTIDE 1 RECEPTORS GLP1R, GCG, GCGR MDM4 3145/4885TP53 3566/4885CTSL 568/4885
US-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof CCNB1, CCNB2, CCNA1 MDM4 1047/4885TP53 99/4885CTSL 2760/4885
US-11773150-B2 Antibody peptide conjugates that have agonist activity at both the glucagon and glucagon-like peptide 1 receptors GLP1R, GCG, GCGR MDM4 3145/4885TP53 3566/4885CTSL 568/4885
US-20200392197-A1 ANTIBODY PEPTIDE CONJUGATES THAT HAVE AGONIST ACTIVITY AT BOTH THE GLUCAGON AND GLUCAGON-LIKE PEPTIDE 1 RECEPTORS GLP1R, GCG, GCGR MDM4 3145/4885TP53 3566/4885CTSL 568/4885
US-20090239755-A1 Identification of Compounds Modifying A Cellular Response MCL1, PMAIP1, CDC37 MDM4 169/4885TP53 18/4885CTSL 68/4885
US-10800826-B2 Antibody peptide conjugates that have agonist activity at both the glucagon and glucagon-like peptide 1 receptors GLP1R, GCG, GCGR MDM4 3145/4885TP53 3566/4885CTSL 568/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A MDM4 1060/4885TP53 573/4885CTSL 499/4885
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.