SCHEMBL13538237

SCHEMBL13538237

CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)[C@@H](O)CCl

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 3/20 0.51
▸ BACE1 P56817 13/20 0.49
▸ CYP17A1 P05093 1/20 0.45
▸ PSEN1 P49768 2/20 0.43
▸ PSEN2 P49810 2/20 0.43
▸ APH1B Q8WW43 2/20 0.43
▸ NCSTN Q92542 2/20 0.43
▸ APH1A Q96BI3 2/20 0.43
▸ PSENEN Q9NZ42 2/20 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
SCHEMBL13538234 1.00 KLK5 (0.51) KLK5BACE1CYP17A1PSEN1PSEN2
SCHEMBL13538225 1.00 KLK5 (0.51) KLK5BACE1CYP17A1PSEN1PSEN2
SCHEMBL6747621 0.89 KLK5 (0.52) KLK5BACE1CYP17A1PSEN1PSEN2
SCHEMBL6747622 0.89 KLK5 (0.52) KLK5BACE1CYP17A1PSEN1PSEN2
Hydrochloric Acid SCHEMBL6753321 0.88 KLK5 (0.51) KLK5BACE1CYP17A1PSEN1PSEN2
SCHEMBL3984508 0.87 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL495758 0.87 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL640670 0.87 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL1481008 0.87 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL638912 0.87 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN

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 4 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-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 KLK5 1600/4885BACE1 233/4885CYP17A1 3289/4885

“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.

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