SCHEMBL13536742

SCHEMBL13536742

COC(=O)C(N)Cc1cccc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.45
TAAR1 Q96RJ0 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LTA4H P09960 1/20 0.41
CIT O14578 1/20 0.39

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
SCHEMBL14599835 0.87 SLC7A5 (0.43) SLC7A5ALDH1A1LTA4H
SCHEMBL13534741 0.87 SLC7A5 (0.43) SLC7A5ALDH1A1LTA4H
SCHEMBL6956712 0.86 PTGS2 (0.44) ALDH1A1LTA4H
SCHEMBL13849496 0.86 PTGS2 (0.44) ALDH1A1LTA4H
SCHEMBL22458056 0.83 TAAR1 (0.64) SLC7A5TAAR1ALDH1A1
SCHEMBL1279049 0.83 TAAR1 (0.64) SLC7A5TAAR1ALDH1A1
SCHEMBL2658540 0.83 TAAR1 (0.64) SLC7A5TAAR1ALDH1A1
SCHEMBL1279586 0.81 MEN1 (0.44) ALDH1A1
SCHEMBL1279851 0.81 MEN1 (0.44) ALDH1A1
SCHEMBL6171672 0.81 MTNR1A (0.38) ALDH1A1

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 SLC7A5 1918/4885TAAR1 4780/4885ALDH1A1 3337/4885

“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.