SCHEMBL2434944

SCHEMBL2434944

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.38
GABRR1 P24046 2/20 0.35
CPB2 Q96IY4 7/20 0.34
CPB1 P15086 1/20 0.33

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
SCHEMBL3749598 0.81 GGT1 (0.42) GGT1GABRR1CPB2CPB1
SCHEMBL9450993 0.79 GGT1 (0.36) GGT1GABRR1CPB2CPB1
SCHEMBL17663617 0.75 POLB (0.32)
SCHEMBL28686249 0.73 GGT1 (0.42) GGT1GABRR1CPB2CPB1
SCHEMBL2436979 0.70 GAA (0.39)
SCHEMBL8038154 0.67 GGT1 (0.37) GGT1GABRR1
SCHEMBL19228114 0.66 PTGS1 (0.50)
SCHEMBL164972 0.66
SCHEMBL601790 0.66
SCHEMBL15453401 0.66

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
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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 (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-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP GGT1 205/4885GABRR1 2254/4885CPB2 113/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP GGT1 205/4885GABRR1 2254/4885CPB2 113/4885

“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.