SCHEMBL13536697

SCHEMBL13536697

CC[C@H](C)[C@@H](O)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
STAT3 P40763 2/20 0.40
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
DHODH Q02127 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.36
CYP2D6 P10635 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
GBA1 P04062 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
SCHEMBL2225063 0.88 STAT3 (0.42) CA2CA1STAT3ALDH1A1KMT2A
SCHEMBL2225071 0.88 STAT3 (0.42) CA2CA1STAT3ALDH1A1KMT2A
SCHEMBL16468235 0.88 STAT3 (0.42) CA2CA1STAT3ALDH1A1KMT2A
SCHEMBL16488723 0.88 STAT3 (0.42) CA2CA1STAT3ALDH1A1KMT2A
SCHEMBL70901 0.87 STAT3 (0.46) CA2CA1STAT3ALDH1A1KMT2A
SCHEMBL1730532 0.87 STAT3 (0.46) CA2CA1STAT3ALDH1A1KMT2A
SCHEMBL70900 0.87 STAT3 (0.46) CA2CA1STAT3ALDH1A1KMT2A
SCHEMBL14081828 0.86 STAT3 (0.43) CA2CA1STAT3ALDH1A1KMT2A
SCHEMBL15187558 0.85 STAT3 (0.40) CA2CA1STAT3ALDH1A1KMT2A
SCHEMBL8172920 0.84 STAT3 (0.43) CA2CA1STAT3ALDH1A1KMT2A

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-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 CA2 3915/4885CA1 3725/4885STAT3 3795/4885

“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.