SCHEMBL25820317

SCHEMBL25820317

CC(C)c1cc(CS(=O)(=O)C(C)C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
NR1H2 P55055 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL25825557 0.75 PANK3 (0.38) CHRNA7PIK3CAMTORNR1H2ALOX5AP
SCHEMBL2737265 0.74 NOS3 (0.53) CHRNA7ALDH1A1SMN1; SMN2NOS3NOS1
SCHEMBL17125687 0.74 CYP19A1 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15627417 0.73 GABRP (0.40) CHRNA7ALDH1A1PROKR1GABRPGABRD
SCHEMBL3507840 0.73 LOXL2 (0.52) CHRNA7NOS3NOS1NOS2
SCHEMBL12120626 0.73 GABRA1 (0.40) CHRNA7KDM4EPOLBSMN1; SMN2GABRA1
SCHEMBL5102672 0.73 RECQL (0.52) CHRNA7PROKR1GABRA1GABRG2GABRB3
SCHEMBL13069319 0.72 NOS2 (0.37) CHRNA7KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23015825 0.71 NR3C2 (0.40) CHRNA7ALDH1A1GABRPGABRDGABRA1
SCHEMBL23006880 0.70 GSR (0.42) CHRNA7ALDH1A1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA CHRNA7 4364/4885PIK3CA 3/4885MTOR 4/4885

“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.