SCHEMBL4551585

SCHEMBL4551585

O=C(CN1C(=O)/C(=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c2ccccc21)Nc1ccccc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 4/20 0.74
TDP1 Q9NUW8 3/20 0.74
CCR6 P51684 2/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
CACNA1B Q00975 3/20 0.67
APBA1 Q02410 3/20 0.67
MCL1 Q07820 3/20 0.67
POLB P06746 2/20 0.67
DUSP3 P51452 2/20 0.67
USP2 O75604 1/20 0.67
PKM P14618 1/20 0.67
APEX1 P27695 3/20 0.52
PTPN7 P35236 2/20 0.52
PTPN22 Q9Y2R2 2/20 0.52
APOBEC3G Q9HC16 1/20 0.52
PTGES O14684 1/20 0.52
PTPN12 Q05209 1/20 0.46
MAPT P10636 2/20 0.44

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
SCHEMBL4551587 1.00 CTDSP1 (0.74) CTDSP1TDP1CCR6L3MBTL1MEN1
SCHEMBL4551586 1.00 CTDSP1 (0.74) CTDSP1TDP1CCR6L3MBTL1MEN1
SCHEMBL14440266 0.87 TDP1 (0.84) CTDSP1TDP1CCR6L3MBTL1MEN1
SCHEMBL2083915 0.85 KMT2A (0.82) CTDSP1TDP1CCR6L3MBTL1MEN1
SCHEMBL14440259 0.85 KMT2A (0.82) CTDSP1TDP1CCR6L3MBTL1MEN1
SCHEMBL5630999 0.85 TDP1 (1.00) CTDSP1TDP1CCR6L3MBTL1MEN1
SCHEMBL5154002 0.85 TDP1 (1.00) CTDSP1TDP1CCR6L3MBTL1MEN1
SCHEMBL4551958 0.84 KMT2A (0.75) CTDSP1TDP1CCR6L3MBTL1MEN1
SCHEMBL4551957 0.84 KMT2A (0.75) CTDSP1TDP1CCR6L3MBTL1MEN1
SCHEMBL4551955 0.84 KMT2A (0.75) CTDSP1TDP1CCR6L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP CTDSP1 1377/4885TDP1 624/4885CCR6 1620/4885

“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.