SCHEMBL3379387

SCHEMBL3379387

C=CC1OC(=O)Nc2ccc(N)cc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.33
RET P07949 2/20 0.32
CA9 Q16790 1/20 0.32
PDPK1 O15530 1/20 0.31
FLT3 P36888 1/20 0.31
ALK Q9UM73 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL28997216 0.81 KMT2A (0.35) CA9
SCHEMBL28997218 0.81 BRD4 (0.36) CA9
SCHEMBL28997430 0.81 MAPT (0.37) CA9
SCHEMBL28997391 0.74 BRD4 (0.38)
SCHEMBL30226043 0.74 BRD4 (0.38)
SCHEMBL30226154 0.74 CMA1 (0.38)
SCHEMBL28997209 0.74 CMA1 (0.38)
SCHEMBL3381944 0.73 CA2 (0.53) RPS6KA3RETFLT3ALKGSK3B
SCHEMBL16333736 0.67 GSK3B (0.35) RETCA9PDPK1FLT3ALK
SCHEMBL29164113 0.66

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 RPS6KA3 1015/4885RET 291/4885CA9 628/4885

“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.