SCHEMBL3594858

SCHEMBL3594858

COc1cc(CCC(=O)O)ccc1S(=O)(=O)C1CN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.34
KCNJ1 P48048 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
FABP4 P15090 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
ALDH1A1 P00352 1/20 0.32
P2RX7 Q99572 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3588822 0.94 BCHE (0.36) PLA2G4AKCNJ1BCHEACHEKMT2A
SCHEMBL3594151 0.93 POLB (0.34) BCHEACHEKMT2ALMNAMEN1
SCHEMBL3599552 0.88 CA2 (0.38) BCHEACHE
SCHEMBL3599548 0.88 CA2 (0.38) BCHEACHE
SCHEMBL3603278 0.87 BCHE (0.35) BCHEACHEKMT2ALMNAMEN1
SCHEMBL3592815 0.86 KMT2A (0.36) PLA2G4AKCNJ1BCHEACHEKMT2A
SCHEMBL13254234 0.85 L3MBTL1 (0.34) BCHEACHEALDH1A1
SCHEMBL3586655 0.84 BCHE (0.38) PLA2G4AKCNJ1BCHEACHEKMT2A
SCHEMBL3597678 0.84 PLA2G4A (0.37) PLA2G4AKCNJ1ACHEKMT2ALMNA
SCHEMBL3579171 0.83 MAPK1 (0.39) KCNJ1ALDH1A1P2RX7TP53MAPK1

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 3 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

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 PLA2G4A 2410/4885KCNJ1 1632/4885BCHE 3002/4885

“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.