SCHEMBL5752684

SCHEMBL5752684

CC(C)(C)OC(=O)NC(Cc1ccc(C#N)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.55
CTSK P43235 8/20 0.55
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
KLK5 Q9Y337 2/20 0.41
FPR1 P21462 4/20 0.40
FPR2 P25090 4/20 0.40
PTPN1 P18031 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL21144822 0.83 CTSS (0.49) CTSSCTSKCTSLCTSBKLK5
SCHEMBL18930599 0.83 CTSS (0.49) CTSSCTSKCTSLCTSBKLK5
SCHEMBL25383602 0.82 CTSS (0.61) CTSSCTSKCTSLCTSBKLK5
SCHEMBL25383608 0.82 CTSS (0.61) CTSSCTSKCTSLCTSBKLK5
SCHEMBL20028143 0.82 CTSS (0.61) CTSSCTSKCTSLCTSBKLK5
SCHEMBL5945647 0.80 KLK5 (0.48) CTSSCTSKCTSLCTSBKLK5
SCHEMBL21170204 0.79 PSEN1 (0.51) CTSSCTSKCTSLCTSBKLK5
SCHEMBL18930230 0.79 PSEN1 (0.51) CTSSCTSKCTSLCTSBKLK5
SCHEMBL20028141 0.77 CTSS (0.55) CTSSCTSKCTSLCTSBKLK5
SCHEMBL22506384 0.77 CTSS (0.44) CTSSCTSKCTSLCTSB

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 CTSS 3800/4885CTSK 4401/4885CTSL 2240/4885

“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.