SCHEMBL699410

SCHEMBL699410

Cc1cc(N2C[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C[C@H]2C(=O)O)n(CCc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.40
AGTR2 P50052 3/20 0.40
CTSL P07711 7/20 0.39
CTSB P07858 3/20 0.39
CTSK P43235 3/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL699930 0.92 CTSS (0.43) CTSSAGTR2CTSLCTSBCTSK
SCHEMBL695527 0.92 CTSS (0.47) CTSSAGTR2CTSLCTSBCTSK
SCHEMBL3068988 0.87 AGTR2 (0.38) CTSSAGTR2CTSLCTSBCTSK
SCHEMBL695947 0.87 CTSS (0.53) CTSSCTSLCTSB
SCHEMBL699544 0.86 CTSS (0.46) CTSSAGTR2CTSLCTSBCTSK
SCHEMBL3061414 0.86 CTSS (0.43) CTSSAGTR2CTSLCTSBCTSK
SCHEMBL3071402 0.85 AGTR2 (0.41) CTSSAGTR2
SCHEMBL695102 0.85 CTSS (0.44) CTSSAGTR2CTSLCTSBCTSK
SCHEMBL695103 0.85 CTSS (0.44) CTSSAGTR2CTSLCTSBCTSK
SCHEMBL695104 0.85 CTSS (0.44) CTSSAGTR2CTSLCTSBCTSK

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 1542/4885AGTR2 317/4885CTSL 178/4885

“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.