SCHEMBL21536097

SCHEMBL21536097

CNCCCC[C@@H](CC#N)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.46
CTSK P43235 13/20 0.46
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL16286150 0.86 MEN1 (0.56) CTSSCTSKCTSLCTSBMEN1
SCHEMBL25319648 0.86 CTSS (0.48) CTSSCTSKCTSLCTSBTDP1
SCHEMBL8357414 0.86 CTSK (0.61) CTSSCTSK
SCHEMBL25319652 0.86 CTSS (0.48) CTSSCTSKCTSLCTSBTDP1
SCHEMBL16285819 0.83 CTSS (0.50) CTSSCTSKCTSLCTSBMEN1
SCHEMBL12602587 0.82 CTSK (0.59) CTSSCTSKCTSLCTSB
SCHEMBL23453052 0.82 TDP1 (0.45) CTSSCTSKMEN1GAAKMT2A
SCHEMBL11043865 0.81 CTSK (0.44) CTSSCTSKCTSLCTSB
SCHEMBL25321787 0.80 CTSS (0.50) CTSSCTSKCTSLCTSB
SCHEMBL25321785 0.80 CTSS (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730832-B2 Aliphatic prolinamide derivatives Orion Ophthalmology LLC (US) 2020-08-04 US disclosed
US-20190330146-A1 ALIPHATIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2019-10-31 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 (2 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-10730832-B2 Aliphatic prolinamide derivatives HTRA1, ALDH1A2, PREP CTSS 746/4885CTSK 1449/4885CTSL 475/4885
US-20190330146-A1 ALIPHATIC PROLINAMIDE DERIVATIVES HTRA1, ALDH1A2, PREP CTSS 746/4885CTSK 1449/4885CTSL 475/4885

“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.