SCHEMBL799370

SCHEMBL799370

CCN(C)S(=O)(=O)c1ccccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL21566643 0.83 POLB (0.41) POLBL3MBTL1HSD11B1MEN1KMT2A
SCHEMBL9962271 0.82 ALDH1A1 (0.51) POLBL3MBTL1HSD11B1HTTALDH1A1
SCHEMBL3925077 0.78 POLB (0.43) POLBL3MBTL1HSD11B1CYP1A2HIF1A
SCHEMBL4566032 0.77 HCRTR2 (0.48) POLBL3MBTL1HSD11B1MEN1KMT2A
SCHEMBL31344705 0.77 HSD11B1 (0.44) POLBL3MBTL1HSD11B1CYP1A2CYP2C19
SCHEMBL19287742 0.76 SLC6A2 (0.39) POLBHSD11B1CYP1A2CYP2C19ALDH1A1
SCHEMBL10179614 0.76 PSIP1 (0.45) POLBL3MBTL1HSD11B1CYP1A2HIF1A
SCHEMBL12077718 0.75 PGR (0.49) L3MBTL1HSD11B1MEN1KMT2ACYP1A2
SCHEMBL13395312 0.75 GAA (0.50) L3MBTL1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL19287839 0.74 SIGMAR1 (0.54) L3MBTL1ALDH1A1

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 — — 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 POLB 1335/4885L3MBTL1 1733/4885HSD11B1 1643/4885

“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.

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