SCHEMBL13541104

SCHEMBL13541104

CCCCOc1ccc(C[C@H](N)[C@H](O)CN(CC(C)C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.54
LTA4H P09960 3/20 0.51
LAP3 P28838 1/20 0.51
ENPP2 Q13822 1/20 0.44
CSNK1E P49674 1/20 0.43
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
IL1RN P18510 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL13538055 0.92 LTA4H (0.60) RENLTA4HLAP3IL1RNERAP2
SCHEMBL469826 0.89 LAP3 (0.47) RENLTA4HLAP3CSNK1E
SCHEMBL27724013 0.89 LAP3 (0.47) RENLTA4HLAP3CSNK1E
Hydrochloric Acid SCHEMBL3092868 0.88 LAP3 (0.46) RENLTA4HLAP3CSNK1E
SCHEMBL14390649 0.86 REN (0.45) RENLTA4HLAP3ITGB3ITGA2B
SCHEMBL25873498 0.82 LTA4H (0.54) LTA4HLAP3L3MBTL1
SCHEMBL13307522 0.78 CTSB (0.51) LTA4HLAP3CSNK1E
SCHEMBL18081540 0.76 LTA4H (0.58) RENLTA4HLAP3ITGB3ITGA2B
SCHEMBL24066657 0.75 PSEN1 (0.57) REN
SCHEMBL13538057 0.75 PSEN1 (0.57) REN

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 REN 3013/4885LTA4H 1533/4885LAP3 222/4885

“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.