SCHEMBL13537895

SCHEMBL13537895

CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.53
MMP1 P03956 4/20 0.49
MMP2 P08253 4/20 0.49
MMP9 P14780 4/20 0.49
MMP8 P22894 4/20 0.49
MMP13 P45452 4/20 0.49
ALOX5 P09917 1/20 0.48
MLNR O43193 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CTSD P07339 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP3A5 P20815 1/20 0.44
CNR1 P21554 1/20 0.44
TBXAS1 P24557 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL13537866 0.91 MMP1 (0.51) SPPL2AMMP1MMP2MMP9MMP8
SCHEMBL13537897 0.91 SPPL2A (0.56) SPPL2AMMP2MMP13
SCHEMBL13631029 0.91 SPPL2A (0.56) SPPL2AMMP2MMP13
SCHEMBL13617756 0.88 SPPL2A (0.48) SPPL2AMMP1MMP2MMP9MMP8
SCHEMBL13537896 0.86 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL12103338 0.85 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13569346 0.85 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1104908 0.85 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2218623 0.85 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2961490 0.85 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD

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 SPPL2A 1140/4885MMP1 1106/4885MMP2 700/4885

“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.