SCHEMBL2086090

SCHEMBL2086090

COC(=O)C(O)(O)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.60
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CES1 P23141 2/20 0.50
CYP2C19 P33261 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CES2 O00748 1/20 0.45
SRD5A2 P31213 1/20 0.45

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
SCHEMBL9681856 0.84 POLB (0.54) POLBALDH1A1MAPK1MEN1KMT2A
SCHEMBL6983868 0.84 ALDH1A1 (0.54) POLBALDH1A1MAPK1MEN1KMT2A
SCHEMBL2083613 0.82 SRC (0.58) SRCPOLBALDH1A1MEN1KMT2A
SCHEMBL10544088 0.80 ALDH1A1 (0.50) POLBALDH1A1MAPK1MEN1KMT2A
SCHEMBL7992038 0.78 MAPK1 (0.60) POLBALDH1A1MAPK1MEN1KMT2A
SCHEMBL14198639 0.77 MAPK1 (0.55) POLBALDH1A1MAPK1MEN1KMT2A
SCHEMBL2083481 0.76 SRC (0.68) SRCPOLBALDH1A1MEN1KMT2A
SCHEMBL2086146 0.76 SRC (0.68) SRCALDH1A1MAPK1MEN1KMT2A
SCHEMBL306161 0.75 POLB (0.81) POLBALDH1A1MAPK1MEN1KMT2A
SCHEMBL12532569 0.75 MAPK1 (0.62) POLBALDH1A1MAPK1MEN1KMT2A

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 SRC 71/4885POLB 3332/4885ALDH1A1 3914/4885

“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.