SCHEMBL4403610

SCHEMBL4403610

CCOC(=O)C(Cc1ccc(O)cc1)NC(=S)CCc1cc(I)c(O)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
PCNA P12004 3/20 0.40
LNPEP Q9UIQ6 1/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
NLRP3 Q96P20 1/20 0.38
TACR1 P25103 1/20 0.38
TP53 P04637 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
SCHEMBL12157338 0.95 BACE1 (0.42) BACE1PCNALNPEPMDM4MDM2
SCHEMBL12174043 0.90 PCNA (0.41) BACE1PCNALNPEPMDM4MDM2
SCHEMBL13123764 0.90 ALDH1A1 (0.48) BACE1PCNALNPEPMDM4MDM2
SCHEMBL31072235 0.90 ALDH1A1 (0.48) BACE1PCNALNPEPMDM4MDM2
SCHEMBL24091032 0.87 ALDH1A1 (0.46) BACE1PCNALNPEPMDM4MDM2
SCHEMBL24091040 0.85 PCNA (0.54) BACE1PCNAMDM4MDM2ALDH1A1
SCHEMBL12157341 0.83 ALDH1A1 (0.37) ALDH1A1KMT2ATACR1TP53
SCHEMBL4408320 0.82 PCNA (0.36) PCNAALDH1A1KMT2ATACR1TP53
SCHEMBL13938296 0.81 ALDH1A1 (0.46) BACE1PCNALNPEPMDM4MDM2
SCHEMBL21884113 0.81 ALDH1A1 (0.46) BACE1PCNALNPEPMDM4MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883861-B2 Iminic monomers and polymers thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-11-11 US disclosed
US-8883861-B2 Iminic monomers and polymers thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-11-11 US disclosed
US-8551511-B2 Phase-separated biocompatible polymer compositions for medical uses RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-10-08 US disclosed
US-8551511-B2 Phase-separated biocompatible polymer compositions for medical uses RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-10-08 US disclosed
US-8288590-B2 N-substituted monomers and polymers RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-10-16 US disclosed
US-8288590-B2 N-substituted monomers and polymers RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-10-16 US disclosed
US-20120108677-A1 IMINIC MONOMERS AND POLYMERS THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-05-03 US disclosed
US-20120108677-A1 IMINIC MONOMERS AND POLYMERS THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-05-03 US disclosed
US-8034365-B2 Polymer substituted with amide or thioamide groups; vascular stents, bioreabsorbable polymers REVA MEDICAL, INC. (US) 2011-10-11 US disclosed
US-8034365-B2 Polymer substituted with amide or thioamide groups; vascular stents, bioreabsorbable polymers REVA MEDICAL, INC. (US) 2011-10-11 US disclosed
US-20110086001-A1 COMPLIANT BIOCOMPATIBLE POLYMER COMPOSITIONS FOR MEDICAL USES RUTGERS UNIVERSITY (US) 2011-04-14 US disclosed
US-20110086001-A1 COMPLIANT BIOCOMPATIBLE POLYMER COMPOSITIONS FOR MEDICAL USES RUTGERS UNIVERSITY (US) 2011-04-14 US disclosed
US-20100228343-A1 PHASE-SEPARATED BIOCOMPATIBLE POLYMER COMPOSITIONS FOR MEDICAL USES RUTGERS, THE STATE UNIVERSITY (US) 2010-09-09 US disclosed
US-20100228343-A1 PHASE-SEPARATED BIOCOMPATIBLE POLYMER COMPOSITIONS FOR MEDICAL USES RUTGERS, THE STATE UNIVERSITY (US) 2010-09-09 US disclosed
WO-2010042917-A1 PHASE-SEPARATED BIOCOMPATIBLE POLYMER COMPOSITIONS FOR MEDICAL USES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-04-15 WO disclosed
US-20080187567-A1 N-SUBSTITUTED MONOMERS AND POLYMERS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-08-07 US disclosed
US-20080187567-A1 N-SUBSTITUTED MONOMERS AND POLYMERS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-08-07 US disclosed
WO-2008082738-A2 N-SUBSTITUTED MONOMERS AND POLYMERS RUTGERS, THE STATE UNIVERSITY (US) 2008-07-10 WO disclosed
US-20080112999-A1 N-SUBSTITUTED MONOMERS AND POLYMERS REVA MEDICAL, INC. (US) 2008-05-15 US disclosed
US-20080112999-A1 N-SUBSTITUTED MONOMERS AND POLYMERS REVA MEDICAL, INC. (US) 2008-05-15 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-20080187567-A1 N-SUBSTITUTED MONOMERS AND POLYMERS NANS, NCL, PNISR BACE1 4614/4885PCNA 39/4885LNPEP 92/4885
US-20120108677-A1 IMINIC MONOMERS AND POLYMERS THEREOF MIF, IGF2BP1, INMT BACE1 4525/4885PCNA 197/4885LNPEP 2091/4885
US-20110086001-A1 COMPLIANT BIOCOMPATIBLE POLYMER COMPOSITIONS FOR MEDICAL USES BMP2, ECPAS, PLOD3 BACE1 4836/4885PCNA 405/4885LNPEP 388/4885
US-20100228343-A1 PHASE-SEPARATED BIOCOMPATIBLE POLYMER COMPOSITIONS FOR MEDICAL USES BMP2, PUF60, MYADM BACE1 4606/4885PCNA 265/4885LNPEP 2153/4885

“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.