SCHEMBL3364982

SCHEMBL3364982

CC(OP(=O)(Oc1ccccc1)C(C)(C)CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ANPEP P15144 2/20 0.42
LAP3 P28838 2/20 0.42
DPP8 Q6V1X1 2/20 0.38
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
SRC P12931 1/20 0.37
DPP4 P27487 2/20 0.36
ELANE P08246 1/20 0.36
DPP7 Q9UHL4 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
SCHEMBL14390657 1.00 ALDH1A1 (0.42) ALDH1A1ANPEPLAP3DPP8CYP1A2
SCHEMBL13538049 0.87 ALDH1A1 (0.41) ALDH1A1ANPEPLAP3DPP8
SCHEMBL14269491 0.86 ANPEP (0.42) ALDH1A1ANPEPLAP3DPP8SRC
SCHEMBL13541103 0.77 ANPEP (0.36) ALDH1A1ANPEPLAP3DPP8SRC
SCHEMBL12330526 0.76 ALDH1A1 (0.45) ALDH1A1ANPEPLAP3DPP8CYP1A2
SCHEMBL4763229 0.74 SRC (0.41) ALDH1A1ANPEPLAP3SRCELANE
SCHEMBL27537974 0.73 POLB (0.50) ALDH1A1ANPEPLAP3CYP1A2GAA
SCHEMBL16409699 0.73 ANPEP (0.43) ANPEPLAP3DPP8CYP1A2GAA
SCHEMBL806954 0.72 SRC (0.44) ANPEPLAP3CYP1A2GAACYP2C9
SCHEMBL6050586 0.70 SRC (0.54) ALDH1A1ANPEPLAP3GAAPKM

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 5 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 US disclosed
US-20060115815-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 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 (3 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 ALDH1A1 1113/4885ANPEP 844/4885LAP3 2239/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 ALDH1A1 2541/4885ANPEP 735/4885LAP3 2231/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP ALDH1A1 3361/4885ANPEP 18/4885LAP3 185/4885

“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.