SCHEMBL2084941

SCHEMBL2084941

O=C1/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC(=S)N1CCS(=O)(=O)O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.85
KMT2A Q03164 5/20 0.85
POLB P06746 2/20 0.85
CTDSP1 Q9GZU7 4/20 0.65
KAT2B Q92831 5/20 0.61
CREBBP Q92793 4/20 0.61
KAT2A Q92830 4/20 0.61
EP300 Q09472 3/20 0.61
TDP1 Q9NUW8 3/20 0.60
DUSP3 P51452 2/20 0.60
CACNA1B Q00975 2/20 0.60
APBA1 Q02410 2/20 0.60
CCR6 P51684 2/20 0.60
USP2 O75604 1/20 0.60
PKM P14618 1/20 0.60
MCL1 Q07820 1/20 0.60
PTPN7 P35236 1/20 0.60
PTPN12 Q05209 1/20 0.60
PTPN22 Q9Y2R2 1/20 0.60
APEX1 P27695 3/20 0.59

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
SCHEMBL2084943 1.00 MEN1 (0.85) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL4797604 0.88 MEN1 (0.68) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL12934213 0.88 MEN1 (0.68) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL14252589 0.88 MEN1 (0.68) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL4797610 0.88 MEN1 (0.68) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL2084589 0.85 MEN1 (0.64) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL5711322 0.85 MEN1 (0.64) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL2332224 0.85 MEN1 (0.64) MEN1KMT2APOLBCTDSP1KAT2B
SCHEMBL2083915 0.82 KMT2A (0.82) MEN1KMT2APOLBCTDSP1TDP1
SCHEMBL14440259 0.82 KMT2A (0.82) MEN1KMT2APOLBCTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885717-B1 SHP-2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE FOR TREATING PHOSPHATASE-MEDIATED DISEASES MAX DELBRUECK CENTRUM (DE) 2011-08-17 EP disclosed
US-7868185-B2 Shp-2 inhibitors and pharmaceutical compositions comprising them MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2011-01-11 US disclosed
US-20080194563-A1 Shp-2 Inhibitors, Pharmaceutical Compositons Comprising Them and Their Use For Treating Phosphatase-Mediated Diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2008-08-14 US disclosed
EP-1885717-A1 SHP-2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE FOR TREATING PHOSPHATASE-MEDIATED DISEASES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2008-02-13 EP disclosed
WO-2006128909-A1 SHP-2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE FOR TREATING PHOSPHATASE-MEDIATED DISEASES Max-Delbrück-Centrum für Molekulare Medizin (DE) 2006-12-07 WO 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-20080194563-A1 Shp-2 Inhibitors, Pharmaceutical Compositons Comprising Them and Their Use For Treating Phosphatase-Mediated Diseases PTPN2, PTPRJ, PTPRS MEN1 856/4885KMT2A 1268/4885POLB 3332/4885

“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.