SCHEMBL5755604

SCHEMBL5755604

CC(C)(C)OC(=O)NC(Cc1cccc(CC(F)(F)C(F)F)c1)C(O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.44
CTSS P25774 4/20 0.43
CTSK P43235 4/20 0.43
BACE1 P56817 3/20 0.39
CTSB P07858 2/20 0.38
CTSL P07711 1/20 0.38
CTSD P07339 1/20 0.37
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
ATM Q13315 2/20 0.36
APP P05067 1/20 0.36
JAK2 O60674 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5751180 0.86 CTSS (0.43) KLK5CTSSCTSKBACE1CTSB
SCHEMBL5752054 0.85 CTSS (0.44) KLK5CTSSCTSKBACE1CTSB
SCHEMBL5751747 0.78 MCHR1 (0.34) CTSSBACE1CTSBCTSL
SCHEMBL5753487 0.77 MAPT (0.36) CTSSBACE1CTSBCTSL
SCHEMBL5752490 0.76 SLC1A1 (0.44) ALDH1A1NPSR1ACEPPARG
SCHEMBL5751133 0.76 KLK5 (0.40) KLK5CTSSCTSKCTSBCTSL
SCHEMBL5752754 0.76 KLK5 (0.42) KLK5CTSSCTSKCTSBCTSL
SCHEMBL5752684 0.75 CTSS (0.55) KLK5CTSSCTSKCTSBCTSL
SCHEMBL5750837 0.74 HTR2A (0.34) ALDH1A1HTTNPSR1PPARG
SCHEMBL5750069 0.74 CETP (0.41) BACE1ALDH1A1LMNA

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP KLK5 3906/4885CTSS 3800/4885CTSK 4401/4885

“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.