SCHEMBL2698685

SCHEMBL2698685

C=C(C)COc1cc(N)c([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 6/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
MLNR O43193 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL9721456 0.87 ALDH1A1 (0.52) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2696972 0.85 ALDH1A1 (0.46) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL4854781 0.84 GAA (0.59) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL27146761 0.82 PDGFRB (0.43) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2696917 0.82 PDGFRB (0.43) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL9793663 0.82 MAPT (0.52) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8131731 0.80 PDGFRB (0.51) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2698678 0.80 LMNA (0.60) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL23412006 0.80 POLB (0.52) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL29723421 0.80 POLB (0.52) ALDH1A1MAPTLMNAMEN1KMT2A

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-8519149-B2 Tricyclic compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US claimed
WO-2012055995-A1 TRICYCLIC COMPOUNDS AS MPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 WO claimed
US-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 US claimed
US-8519149-B2 Tricyclic compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
WO-2012055995-A1 TRICYCLIC COMPOUNDS AS MPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 WO disclosed
US-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 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-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors PTGES, PTGS1, PTGIS ALDH1A1 263/4885PDGFRB 3061/4885FGFR1 1902/4885

“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.