SCHEMBL2105433

SCHEMBL2105433

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2OC(F)(F)F)CN1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.46
AKR1C3 P42330 1/20 0.41
ELOVL6 Q9H5J4 1/20 0.39
CHRM1 P11229 1/20 0.39
CXCR2 P25025 3/20 0.38
GRIK1 P39086 3/20 0.38
GRIA2 P42262 3/20 0.38
RORC P51449 1/20 0.35
HSD11B1 P28845 1/20 0.35
HSD11B2 P80365 1/20 0.35
ALPL P05186 1/20 0.34
CACNA1B Q00975 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
SCHEMBL3067070 0.81 CTSS (0.65) CTSSAKR1C3
SCHEMBL3070272 0.81 CTSS (0.65) CTSSAKR1C3
SCHEMBL695422 0.81 CTSS (0.75) CTSS
Hydrochloric Acid SCHEMBL695411 0.80 CTSS (0.74) CTSS
SCHEMBL696062 0.78 LIG1 (0.39) CTSSGRIK1GRIA2
SCHEMBL694969 0.77 CTSS (0.43) CTSSELOVL6
SCHEMBL15327131 0.77 CTSS (0.43) CTSSELOVL6
SCHEMBL15327130 0.77 CTSS (0.43) CTSSELOVL6
SCHEMBL2105109 0.74 CTSS (0.42) CTSSGRIK1GRIA2
SCHEMBL2105321 0.74 CTSB (0.48) CTSSGRIK1GRIA2

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 6 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
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 1542/4885AKR1C3 567/4885ELOVL6 2446/4885

“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.