SCHEMBL3591470

SCHEMBL3591470

CCOC(=O)C(O)(c1cn(C)c2c([N+](=O)[O-])cccc12)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
MAPK1 P28482 2/20 0.41
CES2 O00748 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.35
THRB P10828 1/20 0.35
FBP1 P09467 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3597190 0.84 CES2 (0.38) GLAMAPK1CES2ACHECES1
SCHEMBL13254019 0.78 GLA (0.75) GLAMAPK1TSHRALDH1A1LMNA
SCHEMBL3591270 0.78 GLA (0.47) GLAMAPK1TSHRLMNAHTT
SCHEMBL3599490 0.77 GLA (0.49) GLAMAPK1TSHRALDH1A1LMNA
SCHEMBL3597532 0.76 LMNA (0.46) GLATSHRALDH1A1LMNAHPGD
SCHEMBL3591542 0.71 GLA (0.57) GLAMAPK1TSHRALDH1A1LMNA
SCHEMBL3603389 0.70 GLA (0.57) GLAMAPK1ALDH1A1
SCHEMBL3590965 0.70 GLA (0.54) GLAMAPK1TSHRLMNAHTT
SCHEMBL3591313 0.70 GLA (0.41) GLAMAPK1LMNATHRBMAPT
SCHEMBL6088649 0.70 GAA (0.37) ALDH1A1LMNAHTTFBP1

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
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 GLA 3982/4885MAPK1 703/4885CES2 3067/4885

“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.