SCHEMBL14633440

SCHEMBL14633440

CCCCOC(=O)C(Cc1cccc(Br)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.62
CTSS P25774 7/20 0.62
CTSB P07858 4/20 0.62
CTSL P07711 2/20 0.47
ACE P12821 1/20 0.46
PTPN1 P18031 1/20 0.45
KLK5 Q9Y337 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL3059680 0.89 CTSS (0.67) CTSKCTSSCTSBCTSLACE
SCHEMBL31380364 0.89 CTSS (0.67) CTSKCTSSCTSBCTSLACE
SCHEMBL3059684 0.89 CTSS (0.67) CTSKCTSSCTSBCTSLACE
SCHEMBL14638337 0.88 CTSK (0.48) CTSKCTSSCTSBCTSLACE
SCHEMBL20905314 0.88 CTSS (0.71) CTSKCTSSCTSBCTSLACE
SCHEMBL27350854 0.88 CTSS (0.71) CTSKCTSSCTSBCTSLACE
SCHEMBL14638520 0.87 CTSK (0.48) CTSKCTSSCTSBCTSLACE
SCHEMBL2346583 0.87 CTSS (0.69) CTSKCTSSCTSBCTSLACE
SCHEMBL21946642 0.87 CTSS (0.69) CTSKCTSSCTSBCTSLACE
SCHEMBL29657242 0.87 CTSS (0.69) CTSKCTSSCTSBCTSLACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSK 298/4885CTSS 277/4885CTSB 289/4885

“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.