SCHEMBL10187006

SCHEMBL10187006

CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
CASP3 P42574 2/20 0.52
MDM4 O15151 2/20 0.52
TP53 P04637 2/20 0.52
EPHX2 P34913 1/20 0.49
MDM2 Q00987 1/20 0.48
TLR2 O60603 1/20 0.47

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
SCHEMBL12574034 1.00 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL12677657 1.00 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL1784562 0.90 TLR2 (0.50) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL10138748 0.90 TLR2 (0.50) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL13688703 0.90 TLR2 (0.50) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL118051 0.90 MDM4 (0.60) KMT2ACASP3MDM4TP53MDM2
SCHEMBL16000763 0.90 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL5839367 0.90 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL7391110 0.90 KMT2A (0.52) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL31675022 0.90 MDM4 (0.60) KMT2ACASP3MDM4TP53MDM2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362866-B1 ISOPRENYL COMPOUNDS AND METHODS THEREOF SIGNUM BIOSCIENCES INC (US) 2015-07-08 EP disclosed
US-8580746-B2 Amide linkage cyclic natriuretic peptide constructs PALATIN TECHNOLOGIES, INC. (US) 2013-11-12 US disclosed
US-8580747-B2 Cyclic natriuretic peptide constructs PALATIN TECHNOLOGIES, INC. (US) 2013-11-12 US disclosed
US-8114844-B2 Linear and cyclic melanocortin receptor-specific peptidomimetics PALATIN TECHNOLOGIES, INC. (US) 2012-02-14 US disclosed
US-7964181-B2 Amino acid surrogates for peptidic constructs PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 US disclosed
US-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US disclosed
US-7795221-B2 Linear natriuretic peptide constructs PALATIN TECHNOLOGIES, INC. (US) 2010-09-14 US disclosed
US-20100075895-A1 Cyclic Natriuretic Peptide Constructs PALATIN TECHNOLOGIES, INC. (US) 2010-03-25 US disclosed
US-20100035821-A1 Amide Linkage Cyclic Natriuretic Peptide Constructs PALATIN TECHNOLOGIES, INC. (US) 2010-02-11 US disclosed
US-7622440-B2 Cyclic natriuretic peptide constructs PALATIN TECHNOLOGIES, INC. (US) 2009-11-24 US disclosed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
US-20090069224-A1 Linear and Cyclic Melanocortin Receptor-Specific Peptidomimetics PALATIN TECHNOLOGIES, INC. (US) 2009-03-12 US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 US disclosed
US-20070265206-A1 Cyclic Natriuretic Peptide Constructs PALATIN TECHNOLOGIES, INC. (US) 2007-11-15 US disclosed
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs PALATIN TECHNOLOGIES, INC. (US) 2007-11-08 US disclosed
US-20070232546-A1 Linear Natriuretic Peptide Constructs PALATIN TECHNOLOGIES, INC. (US) 2007-10-04 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 (9 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-20070265206-A1 Cyclic Natriuretic Peptide Constructs NPR1, NPR3, NPPA KMT2A 3394/4885CASP3 4353/4885MDM4 4632/4885
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs ARGLU1, ARG1, QRFPR KMT2A 1061/4885CASP3 3729/4885MDM4 2560/4885
US-20090069224-A1 Linear and Cyclic Melanocortin Receptor-Specific Peptidomimetics MC1R, MC3R, MC5R KMT2A 1770/4885CASP3 4727/4885MDM4 4268/4885
US-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD KMT2A 2959/4885CASP3 21/4885MDM4 550/4885
US-20100035821-A1 Amide Linkage Cyclic Natriuretic Peptide Constructs NPR1, NPR3, NPPA KMT2A 3187/4885CASP3 4143/4885MDM4 4876/4885
US-20070232546-A1 Linear Natriuretic Peptide Constructs NPR1, NPR3, NPPA KMT2A 2397/4885CASP3 4168/4885MDM4 4792/4885
US-20100075895-A1 Cyclic Natriuretic Peptide Constructs NPR1, NPR3, NPPA KMT2A 3394/4885CASP3 4353/4885MDM4 4632/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 KMT2A 331/4885CASP3 3483/4885MDM4 4701/4885
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY ITGA2B, ITGA2, ITGB2 KMT2A 3126/4885CASP3 3336/4885MDM4 4800/4885

“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.