SCHEMBL13536554

SCHEMBL13536554

CC(C)C(C(=O)O)N1CCCN(CCCNCc2ccc(P(C)(C)=O)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CD274 Q9NZQ7 2/20 0.35
CXCR4 P61073 6/20 0.34
RAB9A P51151 1/20 0.34
HDAC1 Q13547 1/20 0.33
CACNA1G O43497 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL13536563 0.77 RAB9A (0.31) RAB9A
SCHEMBL13536558 0.73 GRIN2D (0.32) RAB9A
SCHEMBL13541145 0.73 DPP4 (0.35) RAB9AS1PR1
SCHEMBL13536553 0.72
SCHEMBL13536555 0.72 RAB9A (0.33) RAB9A
SCHEMBL3364984 0.72 RAB9A (0.33) RAB9A
SCHEMBL3365012 0.69 MAOB (0.47) KMT2A
SCHEMBL3360548 0.64 RAB9A (0.39) RAB9A
SCHEMBL14068417 0.62 CD274 (0.59) KMT2AMEN1CD274RAB9A
SCHEMBL13503902 0.60 SIGMAR1 (0.45)

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 KMT2A 3740/4885MEN1 3990/4885CD274 3900/4885

“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.