SCHEMBL13535259

SCHEMBL13535259

CC[C@@H](O)C[C@@H](COCc1ccccc1)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 1/20 0.50
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL13535263 0.83 MAPT (0.52) CA2CA7CA9MAPTKMT2A
SCHEMBL29097257 0.78 CA1 (0.51) SLC1A1CA1CA2CA7CA9
SCHEMBL13733023 0.78 CA1 (0.51) SLC1A1CA1CA2CA7CA9
SCHEMBL30231867 0.78 CA1 (0.51) SLC1A1CA1CA2CA7CA9
SCHEMBL13733029 0.78 CA1 (0.51) SLC1A1CA1CA2CA7CA9
SCHEMBL6939976 0.78 SLC1A1 (0.49) SLC1A1CA1CA2CA7CA9
SCHEMBL4570490 0.77 CA1 (0.68) CA1CA2CA7CA9KMT2A
SCHEMBL2717725 0.77 CA1 (0.68) CA1CA2CA7CA9KMT2A
SCHEMBL5516631 0.77 CA1 (0.68) CA1CA2CA7CA9KMT2A
SCHEMBL13535255 0.77 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9

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 SLC1A1 3414/4885CA1 3725/4885CA2 3915/4885

“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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