SCHEMBL2107446

SCHEMBL2107446

CC(=O)CC(=S)N1CC(S(=O)(=O)c2ccc(F)cc2Cl)CC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.46
CTSL P07711 10/20 0.46
CTSB P07858 4/20 0.45
CTSK P43235 2/20 0.45
AGTR2 P50052 1/20 0.40
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.39
P2RX7 Q99572 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 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
SCHEMBL2102815 0.90 CTSS (0.45) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL697392 0.90 CTSS (0.45) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL3075491 0.89 CTSS (0.50) CTSSCTSLCTSBCTSKAGTR2
SCHEMBL3718913 0.89 CTSS (0.50) CTSSCTSLCTSBCTSKAGTR2
SCHEMBL696405 0.80 CTSS (0.46) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL697292 0.80 CTSS (0.46) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL2105960 0.80 CTSS (0.46) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL2104268 0.77 CTSS (0.42) CTSSCTSLCTSBCTSKEPHX2
SCHEMBL695511 0.77 CTSS (0.42) CTSSCTSLCTSBCTSKEPHX2
SCHEMBL2104430 0.77 CTSS (0.54) CTSSCTSLCTSBCTSK

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
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 CTSS 1542/4885CTSL 178/4885CTSB 962/4885

“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.