SCHEMBL13541103

SCHEMBL13541103

CCOOC[C@H](C)OP(=O)(Oc1ccccc1)C(C)(C)CN

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.36
LAP3 P28838 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL14269491 0.82 ANPEP (0.42) ANPEPLAP3L3MBTL1ALDH1A1DPP8
SCHEMBL13538049 0.78 ALDH1A1 (0.41) ANPEPLAP3L3MBTL1ALDH1A1DPP8
SCHEMBL3364982 0.77 ALDH1A1 (0.42) ANPEPLAP3ALDH1A1DPP8SRC
SCHEMBL14390657 0.77 ALDH1A1 (0.42) ANPEPLAP3ALDH1A1DPP8SRC
SCHEMBL13541355 0.76 ANPEP (0.36) ANPEPLAP3L3MBTL1
SCHEMBL13538051 0.69 L3MBTL1 (0.52) ANPEPLAP3L3MBTL1ALDH1A1MEN1
SCHEMBL13541364 0.65 BTN3A1 (0.41) ANPEPLAP3L3MBTL1MEN1KMT2A
SCHEMBL10928374 0.64 SRC (0.48) L3MBTL1ALDH1A1MEN1KMT2ASRC
SCHEMBL6050586 0.64 SRC (0.54) ANPEPLAP3L3MBTL1ALDH1A1MEN1
SCHEMBL408802 0.63 SRC (0.52) L3MBTL1ALDH1A1MEN1KMT2ASRC

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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 ANPEP 691/4885LAP3 1817/4885L3MBTL1 164/4885

“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.