SCHEMBL2086146

SCHEMBL2086146

COC(=O)C(O)(O)C(=O)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.68
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
PLOD2 O00469 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL2083481 0.81 SRC (0.68) SRCRAB9AMAPTNPC1MEN1
SCHEMBL28899222 0.81 SRC (1.00) SRCRAB9AMAPTNPC1MEN1
SCHEMBL2086090 0.76 SRC (0.60) SRCMAPTNPC1MEN1MAPK1
SCHEMBL4718633 0.75 SMN1; SMN2 (0.40) SRCRAB9AMAPTNPC1MEN1
SCHEMBL5466629 0.74 CES2 (0.52) RAB9AMAPTNPC1MEN1MAPK1
SCHEMBL5013789 0.74 MLYCD (0.40) SRCRAB9AMAPTNPC1MEN1
SCHEMBL22874628 0.73 CES2 (0.56) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL3169534 0.73 RAB9A (0.44) SRCRAB9AMAPTNPC1MEN1
SCHEMBL11299913 0.73 CES1 (0.46) RAB9AMAPTNPC1MEN1MAPK1
SCHEMBL9692051 0.73 SMN1; SMN2 (0.41) SRCRAB9AMAPTNPC1MEN1

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 71/4885RAB9A 2407/4885MAPT 1892/4885

“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.