SCHEMBL1861665

SCHEMBL1861665

CN(C[C@@H](NC(=O)OC(C)(C)C)C(Cc1ccccc1)[C@H]1CC[C@H](F)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.45
ATM Q13315 3/20 0.43
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
ACE P12821 2/20 0.42
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.40
REN P00797 1/20 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
SCHEMBL1861663 1.00 KLK5 (0.45) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL1859578 0.91 KLK5 (0.45) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL1859576 0.91 KLK5 (0.45) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL1867178 0.91 KLK5 (0.49) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL1861930 0.79 KLK5 (0.43) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL1860829 0.77 HPGD (0.42)
SCHEMBL8082012 0.73 ATM (0.56) KLK5ATMACECTSSCTSL
SCHEMBL7356966 0.73 KLK5 (0.59) KLK5ATMACECTSSCTSL
SCHEMBL498943 0.72 HTR2C (0.38) KLK5ATMACECTSLKMT2A
SCHEMBL3594100 0.71 CTSK (0.46) ATMCTSSCTSKKMT2AMEN1

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-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE KLK5 256/4885ATM 2336/4885PSEN1 155/4885

“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.