SCHEMBL699390

SCHEMBL699390

Cc1cc(N2C[C@H](S(=O)(=O)c3ccccc3Cl)C[C@H]2C(=O)O)n(CCN2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.45
AGTR2 P50052 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
P2RX7 Q99572 1/20 0.37
POLB P06746 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL700115 0.91 CTSS (0.48) CTSSSMN1; SMN2CTSLCTSBP2RX7
SCHEMBL695527 0.86 CTSS (0.47) CTSSAGTR2CTSLCTSB
SCHEMBL696884 0.86 CTSS (0.58) CTSSCTSLCTSB
SCHEMBL696363 0.85 CTSS (0.49) CTSSAGTR2CTSLCTSB
SCHEMBL696364 0.85 CTSS (0.49) CTSSAGTR2CTSLCTSB
SCHEMBL699544 0.84 CTSS (0.46) CTSSAGTR2CTSLCTSB
Formic Acid SCHEMBL695337 0.83 CTSS (0.42) CTSSCTSLCTSB
Formic Acid SCHEMBL2105630 0.83 CTSS (0.56) CTSSCTSLCTSB
SCHEMBL696224 0.82 CTSS (0.47) CTSSAGTR2CTSLCTSBPOLB
SCHEMBL690480 0.82 CTSS (0.47) CTSSCTSLCTSB

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 7 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-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 1542/4885AGTR2 317/4885SMN1; SMN2 3026/4885

“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.