SCHEMBL2736194

SCHEMBL2736194

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(c1ccccc1)C(O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.48
PSEN1 P49768 6/20 0.47
PSEN2 P49810 6/20 0.47
APH1B Q8WW43 6/20 0.47
NCSTN Q92542 6/20 0.47
APH1A Q96BI3 6/20 0.47
PSENEN Q9NZ42 6/20 0.47
ATM Q13315 1/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
APP P05067 1/20 0.42
ACE P12821 1/20 0.41
AKT1 P31749 2/20 0.40

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
SCHEMBL12635865 0.88 KLK5 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL17993808 0.85 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL14947691 0.85 MEN1 (0.38) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL15108314 0.83 KLK5 (0.45) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6446258 0.82 KLK5 (0.50) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL13246042 0.81 KLK5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9848360 0.77 KLK5 (0.63) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7270592 0.77 KLK5 (0.63) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6444857 0.77 KLK5 (0.63) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6445261 0.77 KLK5 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148374-B2 Concurrent administering of drugs; side effect reduction GILEAD SCIENCES, INC. (US) 2012-04-03 US disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 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 (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-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 KLK5 679/4885PSEN1 3006/4885PSEN2 2328/4885

“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.