SCHEMBL2085653

SCHEMBL2085653

[CH2]C(=O)Nc1cccc(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.66
GAA P10253 1/20 0.61
P2RX1 P51575 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
ALOX15 P16050 1/20 0.54
IDO1 P14902 1/20 0.53
MAOB P27338 3/20 0.53
HPGD P15428 2/20 0.53
MAOA P21397 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
GRM5 P41594 1/20 0.50
GRK2 P25098 1/20 0.50

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
SCHEMBL19707566 0.83 GAA (0.65) TGM2GAAP2RX1MEN1KMT2A
SCHEMBL1400845 0.82 GAA (0.62) TGM2GAAP2RX1MEN1KMT2A
SCHEMBL2090960 0.82 GAA (0.62) TGM2GAAP2RX1MEN1KMT2A
SCHEMBL28641144 0.81 ALDH1A1 (0.61) TGM2GAAP2RX1MEN1KMT2A
SCHEMBL5142687 0.80 GAA (0.77) TGM2GAAP2RX1MEN1KMT2A
SCHEMBL264735 0.80 GAA (0.66) TGM2GAAP2RX1ALDH1A1RAB9A
SCHEMBL167814 0.80 GAA (0.61) TGM2GAAP2RX1MEN1KMT2A
SCHEMBL31598559 0.79 TGM2 (0.60) TGM2GAAP2RX1MEN1KMT2A
SCHEMBL515153 0.79 TGM2 (0.60) TGM2GAAP2RX1MEN1KMT2A
SCHEMBL1381249 0.79 TGM2 (1.00) TGM2GAALMNAMAOBMAOA

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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
EP-1728790-A1 Shp-2 inhibitors, pharmaceutical compositions comprising them and their use for treating phosphatase-mediated diseases MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2006-12-06 EP 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 TGM2 1040/4885GAA 2316/4885P2RX1 1364/4885

“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.