SCHEMBL3749598

SCHEMBL3749598

CC(C)(C)[C@H](NCCN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.42
GABRR1 P24046 2/20 0.40
CA2 P00918 1/20 0.35
CPB2 Q96IY4 6/20 0.34
DPP7 Q9UHL4 1/20 0.33
CPB1 P15086 1/20 0.33
RRM1 P23921 1/20 0.33
PAOX Q6QHF9 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL2434944 0.81 GGT1 (0.38) GGT1GABRR1CPB2CPB1
SCHEMBL28686249 0.79 GGT1 (0.42) GGT1GABRR1CPB2CPB1
SCHEMBL9450993 0.78 GGT1 (0.36) GGT1GABRR1CPB2CPB1
SCHEMBL13688891 0.78 SMN1; SMN2 (0.42) CA2DPP7
SCHEMBL3136912 0.78 PTGS1 (0.41) CA2ALDH1A1PTGS1
SCHEMBL10877449 0.78 SMN1; SMN2 (0.46) CA2DPP7
SCHEMBL2524548 0.78 SMN1; SMN2 (0.46) CA2DPP7
SCHEMBL1337928 0.78 TDP1 (0.42) CA2RRM1PTGS1
SCHEMBL2526531 0.78 SMN1; SMN2 (0.46) CA2DPP7
SCHEMBL2434941 0.77 GGT1 (0.34) GGT1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 WO 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 (2 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 GGT1 502/4885GABRR1 2387/4885CA2 4400/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP GGT1 205/4885GABRR1 2254/4885CA2 3870/4885

“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.