SCHEMBL14639622

SCHEMBL14639622

CCCCOC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.58
CTSS P25774 6/20 0.58
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
LY96 Q9Y6Y9 1/20 0.45
ACE P12821 1/20 0.45
KLK5 Q9Y337 1/20 0.44
BCL2 P10415 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 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
SCHEMBL16084888 1.00 CTSK (0.58) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL8279052 1.00 CTSK (0.58) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL7280566 0.95 CTSS (0.56) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL7273182 0.95 CTSS (0.56) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL5551738 0.91 CTSS (0.53) CTSKCTSSITGB3ITGA2BLY96
SCHEMBL14051409 0.89 ITGB3 (0.52) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL14632961 0.89 CTSK (0.59) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL8271187 0.89 CTSK (0.59) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL920111 0.88 CTSS (0.63) CTSKCTSSITGB3ITGA2BCTSL
SCHEMBL7260689 0.88 CTSS (0.63) CTSKCTSSITGB3ITGA2BCTSL

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 277/4885ITGB3 3707/4885

“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.