SCHEMBL5036734

SCHEMBL5036734

CC(C)C(=O)CNC(=O)CCC(=O)NCCc1cnc[nH]1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
LMNA P02545 1/20 0.62
QPCT Q16769 1/20 0.58
QPCTL Q9NXS2 1/20 0.58
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 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
SCHEMBL13546992 0.89 CYP3A4 (0.60) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL17481128 0.86 CYP3A4 (0.82) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL9058710 0.85 CYP3A4 (0.68) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL13033285 0.81 CYP3A4 (0.74) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL18381205 0.81 CYP3A4 (0.74) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL17481134 0.81 CYP3A4 (0.78) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL17483163 0.81 CYP3A4 (0.78) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL17483288 0.80 QPCT (0.66) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL25670592 0.80 CYP3A4 (0.72) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL18381362 0.80 CYP3A4 (0.64) CYP3A4CYP2D6TSHRCYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268312-B2 Alpha-fetoprotein Immu31 antibodies and fusion proteins and methods of use thereof IMMUNOMEDICS, INC. (US) 2012-09-18 US disclosed
US-20120107235-A1 Alpha-Fetoprotein Immu31 Antibodies and Fusion Proteins and Methods of Use Thereof IMMUNOMEDICS, INC. (US) 2012-05-03 US disclosed
US-8097252-B2 Methods and compositions for administering therapeutic and diagnostic agents IMMUNOMEDICS, INC. (US) 2012-01-17 US disclosed
US-8084029-B2 Alpha-fetoprotein Immu31 antibodies and fusion proteins and methods of use thereof IMMUNOMEDICS, INC. (US) 2011-12-27 US disclosed
US-8017736-B2 Alpha-fetoprotein Immu31 antibodies and fusion proteins and methods of use thereof IMMUNOMEDICS, INC. (US) 2011-09-13 US disclosed
US-8017736-B2 Alpha-fetoprotein Immu31 antibodies and fusion proteins and methods of use thereof IMMUNOMEDICS, INC. (US) 2011-09-13 US disclosed
US-7951369-B2 Chimeric, human and humanized anti-granulocyte antibodies and methods of use IMMUNOMEDICS, INC. (US) 2011-05-31 US disclosed
US-20110117010-A1 Methods and Compositions for Administering Therapeutic and Diagnostic Agents IMMUNOMEDICS, INC. (US) 2011-05-19 US disclosed
US-7943343-B2 Production and use of novel peptide-based agents for use with bi-specific antibodies IMMUNOMEDICS, INC. (US) 2011-05-17 US disclosed
US-7943343-B2 Production and use of novel peptide-based agents for use with bi-specific antibodies IMMUNOMEDICS, INC. (US) 2011-05-17 US disclosed
US-7387772-B1 Chimeric, human and humanized anti-CSAP monoclonal antibodies IMMUNIMEDICS, INC. (US) 2008-06-17 US disclosed
US-20080089838-A1 Chimeric, Human and Humanized Anti-CSAP Monoclonal Antibodies IMMUNOMEDICS, INC. 2008-04-17 US disclosed
US-20080089838-A1 Chimeric, Human and Humanized Anti-CSAP Monoclonal Antibodies IMMUNOMEDICS, INC. 2008-04-17 US disclosed
US-7300655-B2 Alpha-fetoprotein Immu31 antibodies and fusion proteins and methods of use thereof IMMUNOMEDICS, INC. (US) 2007-11-27 US disclosed
US-20070183970-A1 Chimeric, human and humanized anti-granulocyte antibodies and methods of use IMMUNOMEDICS, INC. 2007-08-09 US disclosed
US-20070142296-A1 D-amino acid peptides IMMUNOMEDICS, INC. 2007-06-21 US disclosed
US-20070048227-A1 MULTISPECIFIC NONCOVALENT COMPLEXES FOR DELIVERY OF THERAPEUTICS IMMUNOMEDICS, INC. (US) 2007-03-01 US disclosed
US-20070048227-A1 MULTISPECIFIC NONCOVALENT COMPLEXES FOR DELIVERY OF THERAPEUTICS IMMUNOMEDICS, INC. (US) 2007-03-01 US disclosed
US-7172751-B2 Immunological reagents for therapeutic use, for example, in radioimmunotherapy (RAIT), and diagnostic use, for example, in radioimmunodetection (RAID) and magnetic resonance imaging IMMUNOMEDICS, INC. (US) 2007-02-06 US disclosed
US-7172751-B2 Immunological reagents for therapeutic use, for example, in radioimmunotherapy (RAIT), and diagnostic use, for example, in radioimmunodetection (RAID) and magnetic resonance imaging IMMUNOMEDICS, INC. (US) 2007-02-06 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 (6 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-20120107235-A1 Alpha-Fetoprotein Immu31 Antibodies and Fusion Proteins and Methods of Use Thereof INHA, HDGF, IGSF11 CYP3A4 3808/4885CYP2D6 4049/4885TSHR 1778/4885
US-20070048227-A1 MULTISPECIFIC NONCOVALENT COMPLEXES FOR DELIVERY OF THERAPEUTICS CNDP2, DNPEP, CD47 CYP3A4 673/4885CYP2D6 139/4885TSHR 3792/4885
US-20110117010-A1 Methods and Compositions for Administering Therapeutic and Diagnostic Agents CD47, FCGR3B, HAVCR2 CYP3A4 4873/4885CYP2D6 4791/4885TSHR 1681/4885
US-20070142296-A1 D-amino acid peptides DAO, NRDC, ARGLU1 CYP3A4 4204/4885CYP2D6 2633/4885TSHR 88/4885
US-20070183970-A1 Chimeric, human and humanized anti-granulocyte antibodies and methods of use CSF3R, CCR3, FCGR3B CYP3A4 4390/4885CYP2D6 4018/4885TSHR 2795/4885
US-20080089838-A1 Chimeric, Human and Humanized Anti-CSAP Monoclonal Antibodies CHP1, CLSPN, CYTH3 CYP3A4 2408/4885CYP2D6 2480/4885TSHR 4399/4885

“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.