SCHEMBL3599548

SCHEMBL3599548

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
CA5A P35218 3/20 0.38
CA9 Q16790 3/20 0.38
ACHE P22303 7/20 0.35
BCHE P06276 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESR1 P03372 2/20 0.34

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
SCHEMBL3599552 1.00 CA2 (0.38) CA2CA5ACA9ACHEBCHE
SCHEMBL3596275 0.94 ACHE (0.38) CA2CA5ACA9ACHEBCHE
SCHEMBL3596271 0.94 ACHE (0.38) CA2CA5ACA9ACHEBCHE
SCHEMBL13254234 0.94 L3MBTL1 (0.34) CA2CA5ACA9ACHEBCHE
SCHEMBL13254233 0.88 ACHE (0.36) ACHEBCHEMAOAMAOB
SCHEMBL3594858 0.88 PLA2G4A (0.34) ACHEBCHE
SCHEMBL3594151 0.86 POLB (0.34) ACHEBCHE
SCHEMBL3598783 0.84 BCHE (0.43) CA2CA5ACA9ACHEBCHE
SCHEMBL3593033 0.84 BCHE (0.43) CA2CA5ACA9ACHEBCHE
SCHEMBL3593026 0.84 BCHE (0.43) CA2CA5ACA9ACHEBCHE

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-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

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 CA2 1741/4885CA5A 1922/4885CA9 951/4885

“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.