SCHEMBL6417674

SCHEMBL6417674

Cc1nn(CCNC(=O)OC(C)(C)C)c(C(=O)O)c1Sc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
BRD4 O60885 2/20 0.38
GAA P10253 3/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 2/20 0.37
DRD2 P14416 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
IDO1 P14902 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
LATS1 O95835 1/20 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
SCHEMBL6419051 0.90 MAPT (0.39) MAPTBRD4GAAPOLBTP53
SCHEMBL6418077 0.89 MAPT (0.45) MAPTBRD4GAAPOLBTP53
SCHEMBL6418080 0.88 MAPT (0.40) MAPTBRD4GAAPOLBTP53
SCHEMBL6416052 0.88 MAPT (0.40) MAPTBRD4GAAPOLBTP53
SCHEMBL6417474 0.86 MAPT (0.39) MAPTBRD4GAAPOLBTP53
SCHEMBL6416100 0.86 MAPT (0.39) MAPTBRD4GAAPOLBTP53
SCHEMBL6417839 0.86 CCNT1 (0.41) MAPTBRD4GAAPOLBTP53
SCHEMBL6416980 0.85 MAPT (0.39) MAPTBRD4GAAPOLBTP53
SCHEMBL6417508 0.85 BRD4 (0.39) MAPTBRD4GAAPOLBTP53
SCHEMBL6417011 0.84 POLB (0.39) MAPTBRD4GAAPOLBDRD2

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-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor BAYER HEALTHCARE AG (DE) 2005-06-02 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-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor HTR2C, HTR2A, HTR2B MAPT 4451/4885BRD4 2443/4885GAA 4643/4885

“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.