SCHEMBL13248779

SCHEMBL13248779

CCNC(=O)c1c(F)c(F)c(O)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
TAS1R3 Q7RTX0 4/20 0.46
TAS1R1 Q7RTX1 4/20 0.46
TAS1R2 Q8TE23 4/20 0.46
RECQL P46063 1/20 0.46
ESR1 P03372 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.40
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM5A P29375 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL18182635 0.89 HTT (0.61) HTTTAS1R3TAS1R1TAS1R2RECQL
SCHEMBL15355927 0.80 HTT (0.47) HTTTAS1R3TAS1R1TAS1R2RECQL
SCHEMBL15984820 0.79 RECQL (0.50) HTTTAS1R3TAS1R1TAS1R2RECQL
SCHEMBL13544870 0.78 HTT (0.48) HTTTAS1R3TAS1R1TAS1R2RECQL
SCHEMBL13544601 0.78 HTT (0.48) HTTTAS1R3TAS1R1TAS1R2RECQL
SCHEMBL13791344 0.77 RECQL (0.45) HTTTAS1R3TAS1R1TAS1R2RECQL
SCHEMBL14506083 0.76 HTT (0.43) HTTTAS1R3TAS1R1TAS1R2RECQL
SCHEMBL15355928 0.73 RECQL (0.41) HTTTAS1R3TAS1R1TAS1R2RECQL
SCHEMBL13791949 0.73 RECQL (0.41) HTTTAS1R3TAS1R1TAS1R2RECQL
SCHEMBL8526114 0.72 HTT (0.69) HTTTAS1R3TAS1R1TAS1R2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655236-B2 Activity-based probe compounds, compositions, and methods of use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-05-23 US disclosed
US-20160039792-A1 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-02-11 US disclosed
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-07-01 US disclosed
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 US disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
US-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 US disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 US disclosed
US-7247728-B2 Bicyclic N-arylamides BAYER HEALTHCARE AG (DE) 2007-07-24 US disclosed
US-7247728-B2 Bicyclic N-arylamides BAYER HEALTHCARE AG (DE) 2007-07-24 US disclosed
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 HTT 3491/4885TAS1R3 2390/4885TAS1R1 3908/4885
US-20100166706-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 HTT 4251/4885TAS1R3 3255/4885TAS1R1 4102/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 HTT 4153/4885TAS1R3 2789/4885TAS1R1 3915/4885
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 HTT 3795/4885TAS1R3 2997/4885TAS1R1 3980/4885
US-11655236-B2 Activity-based probe compounds, compositions, and methods of use DNPEP, CTSF, CTSE HTT 2554/4885TAS1R3 4376/4885TAS1R1 4326/4885
US-20160039792-A1 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DNPEP, CTSF, CTSE HTT 2554/4885TAS1R3 4376/4885TAS1R1 4326/4885

“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.