SCHEMBL4551955

SCHEMBL4551955

O=C(CN1C(=O)/C(=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c2ccccc21)Nc1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.75
MEN1 O00255 6/20 0.75
MCL1 Q07820 5/20 0.75
TDP1 Q9NUW8 3/20 0.75
CTDSP1 Q9GZU7 3/20 0.75
CCR6 P51684 2/20 0.75
POLB P06746 2/20 0.75
CACNA1B Q00975 2/20 0.75
APBA1 Q02410 2/20 0.75
USP2 O75604 1/20 0.75
PKM P14618 1/20 0.75
DUSP3 P51452 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.74
PTPN7 P35236 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
PTPN22 Q9Y2R2 1/20 0.62
MAPT P10636 4/20 0.60
APEX1 P27695 3/20 0.55
PTGES O14684 1/20 0.54
KAT2B Q92831 1/20 0.53

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
SCHEMBL4551957 1.00 KMT2A (0.75) KMT2AMEN1MCL1TDP1CTDSP1
SCHEMBL4551958 1.00 KMT2A (0.75) KMT2AMEN1MCL1TDP1CTDSP1
SCHEMBL2083915 0.93 KMT2A (0.82) KMT2AMEN1MCL1TDP1CTDSP1
SCHEMBL14440259 0.93 KMT2A (0.82) KMT2AMEN1MCL1TDP1CTDSP1
SCHEMBL14440266 0.91 TDP1 (0.84) KMT2AMEN1MCL1TDP1CTDSP1
SCHEMBL2085589 0.88 KMT2A (0.70) KMT2AMEN1MCL1TDP1CTDSP1
SCHEMBL12445150 0.88 KMT2A (0.70) KMT2AMEN1MCL1TDP1CTDSP1
SCHEMBL2085591 0.88 KMT2A (0.70) KMT2AMEN1MCL1TDP1CTDSP1
SCHEMBL5630999 0.85 TDP1 (1.00) KMT2AMEN1MCL1TDP1CTDSP1
SCHEMBL5154002 0.85 TDP1 (1.00) KMT2AMEN1MCL1TDP1CTDSP1

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 KMT2A 2032/4885MEN1 4459/4885MCL1 445/4885

“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.