SCHEMBL2242118

SCHEMBL2242118

CCOC(=O)C(C)(C)Sc1cc(C)c(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.51
FGFR1 P11362 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT1 P17948 1/20 0.51
FGFR3 P22607 1/20 0.51
KDR P35968 1/20 0.51
ALDH1A1 P00352 7/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP10 Q14694 1/20 0.42
THRB P10828 1/20 0.40
KMT2A Q03164 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
SCHEMBL12353794 0.85 PDGFRB (0.54) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2247990 0.78 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12361995 0.76 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17085847 0.75 PDGFRB (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL10648807 0.75 MAPT (0.48) ALDH1A1LMNASMN1; SMN2POLBNPSR1
SCHEMBL16412249 0.75 THRB (0.42) ALDH1A1LMNASMN1; SMN2NPSR1THRB
SCHEMBL12353806 0.75 PDGFRB (0.54) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1721029 0.74 PDGFRB (0.68) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2897709 0.73 PDGFRB (0.67) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL30344917 0.72 PDGFRB (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 PDGFRB 616/4885FGFR1 194/4885PDGFRA 962/4885

“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.