SCHEMBL699107

SCHEMBL699107

COC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2Cl)CN1c1cc(C)nn1C1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.49
CTSL P07711 10/20 0.49
CTSB P07858 4/20 0.49
CTSK P43235 4/20 0.49
P2RX7 Q99572 1/20 0.43
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
GPR6 P46095 1/20 0.36
KAT7 O95251 2/20 0.36
KAT5 Q92993 2/20 0.36
KAT6A Q92794 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL2105779 0.93 CTSS (0.56) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL696083 0.93 CTSS (0.56) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL699411 0.92 CTSS (0.49) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL2105319 0.90 CTSS (0.51) CTSSCTSLCTSBCTSKKCNJ6
SCHEMBL695719 0.90 CTSS (0.51) CTSSCTSLCTSBCTSKKCNJ6
SCHEMBL697627 0.90 CTSS (0.61) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL2106582 0.90 CTSS (0.61) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL697486 0.86 CTSS (0.55) CTSSCTSLCTSBCTSK
SCHEMBL694888 0.84 CTSS (0.56) CTSSCTSLCTSBCTSKP2RX7
SCHEMBL696277 0.83 CTSS (0.51) 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 5 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
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO 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.