SCHEMBL12635676

SCHEMBL12635676

C[C@@H]1Cc2ccccc2CN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.50
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
APP P05067 1/20 0.43
REN P00797 4/20 0.43
ATM Q13315 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL12635456 1.00 KLK5 (0.50) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL12635437 1.00 KLK5 (0.50) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL12635461 0.91 KLK5 (0.48) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL12635458 0.91 KLK5 (0.48) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL12635699 0.91 KLK5 (0.48) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL12635691 0.91 KLK5 (0.48) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL12635454 0.90 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL12635671 0.90 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496108 0.90 KLK5 (0.57) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496107 0.90 KLK5 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283346-B2 Human immunodeficiency virus protease inhibitors THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY (US) 2012-10-09 US disclosed
US-20110112068-A1 HUMAN IMMUNODEFICIENCY VIRUS PROTEASE INHIBITORS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY 2011-05-12 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-20110112068-A1 HUMAN IMMUNODEFICIENCY VIRUS PROTEASE INHIBITORS SERPINB1, PREP, TMPRSS15 KLK5 257/4885PSEN1 395/4885PSEN2 828/4885

“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.