SCHEMBL9058710

SCHEMBL9058710

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
TSHR P16473 1/20 0.68
CYP2C19 P33261 1/20 0.68
QPCT Q16769 1/20 0.67
QPCTL Q9NXS2 1/20 0.67
LMNA P02545 1/20 0.67
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
POLB P06746 1/20 0.54
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL17481128 0.90 CYP3A4 (0.82) CYP3A4CYP2D6TSHRCYP2C19QPCT
SCHEMBL17285644 0.86 QPCT (0.70) CYP3A4CYP2D6TSHRCYP2C19QPCT
SCHEMBL5036734 0.85 CYP3A4 (0.64) CYP3A4CYP2D6TSHRCYP2C19QPCT
SCHEMBL31483846 0.84 QPCT (0.83) CYP3A4CYP2D6TSHRCYP2C19QPCT
SCHEMBL13033285 0.84 CYP3A4 (0.74) CYP3A4CYP2D6TSHRCYP2C19QPCT
SCHEMBL18381205 0.84 CYP3A4 (0.74) CYP3A4CYP2D6TSHRCYP2C19QPCT
SCHEMBL17483163 0.84 CYP3A4 (0.78) CYP3A4CYP2D6TSHRCYP2C19QPCT
SCHEMBL17481134 0.84 CYP3A4 (0.78) CYP3A4CYP2D6TSHRCYP2C19QPCT
SCHEMBL25670592 0.83 CYP3A4 (0.72) CYP3A4CYP2D6TSHRCYP2C19QPCT
SCHEMBL29419585 0.82 CYP3A4 (0.76) CYP3A4CYP2D6TSHRCYP2C19QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188239-B2 Multivalent carriers of bi-specific antibodies IMMUNOMEDICS, INC. (US) 2012-05-29 US disclosed
US-20110229407-A1 Alpha-Fetoprotein Immu31 Antibodies and Fusion Proteins and Methods of Use Thereof IMMUNOMEDICS, INC. (US) 2011-09-22 US disclosed
US-20110223645-A1 Multivalent Carriers of Bi-Specific Antibodies IMMUNOMEDICS, INC. (US) 2011-09-15 US disclosed
US-7892547-B2 Methods and compositions for administering therapeutic and diagnostic agents IMMUNOMEDICS, INC. (US) 2011-02-22 US disclosed
US-7820164-B2 Chimeric, human and humanized anti-CSAP monoclonal antibodies IMMUNOMEDICS, INC. (US) 2010-10-26 US disclosed
US-7776311-B1 Immunological reagents for therapeutic use, in radioimmunotherapy (RAIT), and diagnostic use, in radioimmunodetection (RAID) and magnetic resonance imaging; conjugated drug as antiinflammatory, or anticarcinogenic agents; drug targets; tissue-targeted therapy IMMUNOMEDICS, INC. (US) 2010-08-17 US disclosed
US-20100202961-A1 D-AMINO ACID PEPTIDES IMMUNOMEDICS, INC. 2010-08-12 US disclosed
US-20100158803-A1 Production and Use of Novel Peptide-Based Agents for Use with Bi-Specific Antibodies IMMUNOMEDICS, INC. (US) 2010-06-24 US disclosed
US-20100158802-A1 Chimeric, Human and Humanized Anti-CSAP Monoclonal Antibodies IMMUNOMEDICS, INC. (US) 2010-06-24 US disclosed
US-7666415-B2 Production and use of novel peptide-based agents for use with bi-specific antibodies IMMUNOMEDICS, INC. (US) 2010-02-23 US disclosed
US-7521416-B2 D-amino acid peptides IMMUNOMEDICS, INC. (US) 2009-04-21 US disclosed
US-7501498-B2 Alpha-fetoprotein Immu31 antibodies and fusion proteins IMMUNOMEDICS, INC. (US) 2009-03-10 US disclosed
US-20080293921-A1 Production and Use of Novel Peptide-Based Agents for Use with Bi-Specific Antibodies IMMUNOMEDICS, INC. (US) 2008-11-27 US disclosed
US-7429381-B2 Production and use of novel peptide-based agents for use with bi-specific antibodies IMMUNOMEDICS, INC. (US) 2008-09-30 US disclosed
US-20080219920-A1 Chimeric, Human and Humanized Anti-CSAP Monoclonal Antibodies IMMUNOMEDICS, INC. 2008-09-11 US disclosed
US-7414121-B2 Chimeric, human and humanized anti-CSAp monoclonal antibodies IMMUNOMEDICS, INC. (US) 2008-08-19 US disclosed
US-20080146784-A1 Alpha-Fetoprotein Immu31 Antibodies and Fusion Proteins and Methods of Use Thereof IMMUNOMEDICS, INC. (US) 2008-06-19 US disclosed
US-7387772-B1 Chimeric, human and humanized anti-CSAP monoclonal antibodies IMMUNIMEDICS, INC. (US) 2008-06-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20080146784-A1 Alpha-Fetoprotein Immu31 Antibodies and Fusion Proteins and Methods of Use Thereof INHA, HDGF, IGSF11 CYP3A4 3808/4885CYP2D6 4049/4885TSHR 1778/4885
US-20100158802-A1 Chimeric, Human and Humanized Anti-CSAP Monoclonal Antibodies CHP1, CLSPN, CYTH3 CYP3A4 2408/4885CYP2D6 2480/4885TSHR 4399/4885
US-20070142296-A1 D-amino acid peptides DAO, NRDC, ARGLU1 CYP3A4 4204/4885CYP2D6 2633/4885TSHR 88/4885
US-20110229407-A1 Alpha-Fetoprotein Immu31 Antibodies and Fusion Proteins and Methods of Use Thereof INHA, HDGF, IGSF11 CYP3A4 3808/4885CYP2D6 4049/4885TSHR 1778/4885
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-20080219920-A1 Chimeric, Human and Humanized Anti-CSAP Monoclonal Antibodies CHP1, CLSPN, CYTH3 CYP3A4 2408/4885CYP2D6 2480/4885TSHR 4399/4885
US-20080293921-A1 Production and Use of Novel Peptide-Based Agents for Use with Bi-Specific Antibodies HRH3, BSG, HRH4 CYP3A4 3351/4885CYP2D6 1426/4885TSHR 2012/4885
US-20100202961-A1 D-AMINO ACID PEPTIDES ARGLU1, APLNR, NPBWR1 CYP3A4 4383/4885CYP2D6 2942/4885TSHR 93/4885
US-20110223645-A1 Multivalent Carriers of Bi-Specific Antibodies FCGR3B, FCGR2A, FCGR1A CYP3A4 4501/4885CYP2D6 4022/4885TSHR 1184/4885
US-20100158803-A1 Production and Use of Novel Peptide-Based Agents for Use with Bi-Specific Antibodies HRH3, BSG, HRH4 CYP3A4 4249/4885CYP2D6 2619/4885TSHR 1755/4885

“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.