SCHEMBL17898482

SCHEMBL17898482

COc1ccc(-c2ccccc2)cc1N1CC(=O)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
MCHR1 Q99705 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
DRD4 P21917 1/20 0.38
HTR1A P08908 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
HTT P42858 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
AVPR2 P30518 1/20 0.37
AVPR1A P37288 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
SCHEMBL17898483 0.79 KDM4E (0.44) MEN1KMT2AHTT
SCHEMBL17898478 0.75 PTPN1 (0.43) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL15782174 0.74 PTPN1 (0.65) PTPN1MCHR1MEN1KMT2APOLB
SCHEMBL2392165 0.72 ALDH1A1 (0.49) HTR1AHTT
SCHEMBL17898476 0.70 PTPN1 (1.00) PTPN1MEN1KMT2APOLBDRD4
SCHEMBL6963568 0.68 HTR6 (0.65) PTPN1HTR1A
SCHEMBL17898525 0.68 PTPN1 (0.60) PTPN1MEN1KMT2APOLBPDE4A
SCHEMBL17898526 0.67 PTPN1 (0.76) PTPN1MEN1KMT2APOLBDRD4
SCHEMBL4533772 0.67 L3MBTL1 (0.62) MEN1KMT2APDE4AHTT
SCHEMBL9117643 0.66 PTPN1 (0.49) PTPN1MEN1KMT2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 US disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 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 (1 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-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines PTMS, RSU1, QSOX1 PTPN1 198/4885MCHR1 2494/4885MEN1 4819/4885

“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.