SCHEMBL2696972

SCHEMBL2696972

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCAR3 P49019 1/20 0.39
MAPT P10636 4/20 0.38

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
SCHEMBL2698678 0.85 LMNA (0.60) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2698685 0.85 ALDH1A1 (0.45) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2243236 0.83 CHEK1 (0.47) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL13680344 0.79 HCAR3 (0.49) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL15323319 0.79 PDGFRB (0.49) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL12190698 0.78 CHEK1 (0.47) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL23412006 0.78 POLB (0.52) ALDH1A1HTTSMN1; SMN2LMNAPOLB
SCHEMBL11951459 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAGALR2MITF
SCHEMBL29723421 0.78 POLB (0.52) ALDH1A1HTTSMN1; SMN2LMNAPOLB
SCHEMBL11992693 0.77 CYP3A4 (0.53) ALDH1A1HTTSMN1; SMN2LMNAGALR2

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.