SCHEMBL3067719

SCHEMBL3067719

Cc1cc(N2C[C@H](S(=O)(=O)c3ccc(-c4ccncn4)cc3C(F)(F)F)C[C@H]2C(=O)O)n(C2CCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
CTSK P43235 2/20 0.53
P2RX7 Q99572 1/20 0.35
RORC P51449 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33

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
SCHEMBL696015 0.88 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL695206 0.85 CTSS (0.69) CTSSCTSLCTSBCTSKRORC
SCHEMBL695205 0.85 CTSS (0.69) CTSSCTSLCTSBCTSKRORC
SCHEMBL697148 0.84 CTSS (0.69) CTSSCTSLCTSBCTSK
SCHEMBL694908 0.83 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL694907 0.83 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL695523 0.83 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL3070729 0.82 CTSS (0.57) CTSSCTSLCTSBCTSKRORC
SCHEMBL3055500 0.82 CTSS (0.57) CTSSCTSLCTSBCTSKRORC
SCHEMBL15327363 0.82 CTSS (0.44) 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 4 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 claimed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US claimed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP 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.