SCHEMBL3381944

SCHEMBL3381944

Nc1ccc2c(c1)C(c1ccccc1)OC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
ALDH1A1 P00352 3/20 0.41
NR3C1 P04150 3/20 0.41
RAB9A P51151 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
GSK3B P49841 2/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 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
SCHEMBL16109293 0.82 CA2 (0.53) CA2ALDH1A1POLBMAPTMEN1
SCHEMBL10959402 0.79 CA2 (0.51) CA2NR3C1RAB9AMAPTLRRK2
SCHEMBL3378813 0.78 ALDH1A1 (0.48) CA2ALDH1A1KDM4EPOLBMAPT
SCHEMBL4167925 0.76 PGR (0.54) CA2MAPTGAABRD4PGR
SCHEMBL30639041 0.75 BRD4 (0.52) CA2ALDH1A1MAPTGSK3BCHEK1
SCHEMBL29141202 0.75 BRD4 (0.52) CA2ALDH1A1MAPTGSK3BCHEK1
SCHEMBL30991578 0.73 BRD4 (0.55) CA2NR3C1RAB9ASLC6A3KDM4E
SCHEMBL30943193 0.73 BRD4 (0.55) CA2NR3C1RAB9ASLC6A3KDM4E
SCHEMBL28871521 0.73 CA2 (0.51) CA2ALDH1A1KDM4EMEN1GAA
SCHEMBL3379387 0.73 RPS6KA3 (0.33) GSK3BRETFLT3RPS6KA3ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 CA2 364/4885ALDH1A1 1053/4885NR3C1 9/4885

“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.