SCHEMBL13770955

SCHEMBL13770955

COC(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.67
▸ APP P05067 4/20 0.55
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 2/20 0.54
▸ CTSL P07711 1/20 0.54
▸ CTSB P07858 1/20 0.54
▸ KLK5 Q9Y337 2/20 0.54
▸ ACE P12821 1/20 0.52
▸ REN P00797 4/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ AGTR1 P30556 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL7239876 1.00 ATM (0.67) ATMAPPCTSSCTSKCTSL
SCHEMBL6896458 1.00 ATM (0.67) ATMAPPCTSSCTSKCTSL
SCHEMBL28113259 0.93 ATM (0.68) ATMAPPCTSSCTSKCTSL
SCHEMBL28113260 0.93 ATM (0.68) ATMAPPCTSSCTSKCTSL
SCHEMBL7415305 0.92 CTSS (0.58) ATMAPPCTSSCTSKCTSL
SCHEMBL7413342 0.92 CTSS (0.58) ATMAPPCTSSCTSKCTSL
SCHEMBL2617272 0.90 REN (0.58) ATMAPPRENALDH1A1LMNA
SCHEMBL6499797 0.90 REN (0.58) ATMAPPRENALDH1A1LMNA
SCHEMBL489489 0.89 ATM (0.70) ATMAPPCTSSCTSKCTSL
SCHEMBL489490 0.89 ATM (0.70) ATMAPPCTSSCTSKCTSL

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
US-8759379-B2 Inhibitors of cytochrome P450 GILEAD SCIENCES, INC. (US) 2014-06-24 — — US disclosed
WO-2009088719-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-16 — — WO disclosed
US-20090175820-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-09 — — 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-20090175820-A1 INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP11B2, CYP2F1 ATM 4182/4885APP 4191/4885CTSS 1167/4885

“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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