SCHEMBL13538579

SCHEMBL13538579

CC(C)NCc1ccc(P(=O)(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
ENPP1 P22413 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
PARP1 P09874 2/20 0.38
ITGB1 P05556 2/20 0.38
ITGA5 P08648 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
PRKD1 Q15139 1/20 0.37
LTA4H P09960 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 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
SCHEMBL18539760 0.83 PARP1 (0.39) ACP3ALDH1A1LMNACYP1A2ALOX15
SCHEMBL3271284 0.79 SIGMAR1 (0.48) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL13541384 0.79 LOXL2 (0.45) ENPP1CA2CA4CA5A
SCHEMBL13538576 0.76 MEN1 (0.41) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL19529577 0.76 LTA4H (0.37) ALDH1A1LMNACYP1A2CYP2C19PARP1
SCHEMBL663346 0.75 PTGS1 (0.48) LMNAPTGS2CA2CA4CA5A
SCHEMBL27501482 0.75 CA2 (0.43) ACP3ENPP1CA2CA4CA5A
Methyl Alcohol SCHEMBL29261100 0.74 SIGMAR1 (0.61) ACP3ALDH1A1LMNAMEN1KMT2A
SCHEMBL9781281 0.74 SLC6A2 (0.48) ALDH1A1LMNAALOX15MEN1KMT2A
SCHEMBL13164692 0.73 ALDH1A1 (0.49) ALDH1A1LMNACYP1A2PARP1PRKD1

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 3 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-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 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 ACP3 99/4885ALDH1A1 3337/4885LMNA 2720/4885

“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.