SCHEMBL3072226

SCHEMBL3072226

O=C(O)[C@H]1C[C@@H](S(=O)(=O)c2ccc(Cl)cc2Cl)CN1c1ncccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.55
CTSS P25774 12/20 0.51
RBP4 P02753 1/20 0.43
TRPA1 O75762 1/20 0.40
CTSL P07711 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL3069523 1.00 HSD11B1 (0.55) HSD11B1CTSSRBP4TRPA1CTSL
SCHEMBL3055507 0.92 CTSS (0.50) HSD11B1CTSSCTSL
SCHEMBL3060735 0.86 CTSS (0.65) HSD11B1CTSSRBP4
SCHEMBL3066791 0.86 CTSS (0.65) HSD11B1CTSSRBP4
SCHEMBL694718 0.85 CTSS (0.60) CTSSCTSL
SCHEMBL694813 0.85 CTSS (0.60) CTSSCTSL
SCHEMBL3066193 0.84 HSD11B1 (0.44) HSD11B1CTSSMALT1
SCHEMBL3067380 0.84 HSD11B1 (0.44) HSD11B1CTSSMALT1
SCHEMBL696614 0.79 CTSS (0.58) CTSSCTSL
SCHEMBL694579 0.77 CTSS (0.68) CTSS

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 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
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 HSD11B1 2456/4885CTSS 1542/4885RBP4 877/4885

“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.