SCHEMBL13535263

SCHEMBL13535263

CC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.52
▸ PPARG P37231 2/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ BIRC2 Q13490 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CA2 P00918 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL117431 0.85 CYP1A2 (0.60) PPARGEPHX2CYP1A2POLBKMT2A
SCHEMBL11599447 0.84 CYP1A2 (0.63) PPARGCYP1A2
SCHEMBL13535259 0.83 SLC1A1 (0.50) MAPTKDM4ECA7CA9LTA4H
SCHEMBL13535261 0.83 MAPT (0.52) MAPTPPARGKDM4ECYP1A2ALDH1A1
SCHEMBL14445173 0.81 CYP1A2 (0.50) CYP1A2CA12CA7CA9CA14
SCHEMBL10776860 0.80 CYP1A2 (0.49) CYP1A2CA12CA7CA9CA14
SCHEMBL17041024 0.80 BIRC2 (0.43) MAPTKDM4ECYP1A2CA12CA7
SCHEMBL14294681 0.80 HDAC3 (0.55) CYP1A2POLBKMT2ABIRC2ATM
SCHEMBL9297390 0.79 PPARG (0.61) MAPTPPARGEPHX2KDM4EKMT2A
SCHEMBL3596338 0.79 ALDH1A1 (0.57) CYP1A2POLBKMT2ABIRC2ATM

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 MAPT 1076/4885PPARG 4598/4885EPHX2 4299/4885

“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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