SCHEMBL3068911

SCHEMBL3068911

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(N3CCC(C(F)(F)F)CC3)cc2Cl)CN1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.43
CTSS P25774 10/20 0.42
HSD11B1 P28845 4/20 0.40
DPP4 P27487 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
SCHEMBL3073773 0.86 DPP4 (0.40) NOTUMCTSSHSD11B1DPP4
SCHEMBL3061372 0.85 HSD11B1 (0.41) NOTUMCTSSHSD11B1DPP4
SCHEMBL2106670 0.84 CTSS (0.57) CTSS
SCHEMBL3060559 0.81 HDAC4 (0.37) NOTUMCTSSHSD11B1DPP4
SCHEMBL3060725 0.81 CTSS (0.40) CTSSDPP4
SCHEMBL15327165 0.77 CTSS (0.45) CTSS
SCHEMBL696063 0.76 AKR1B1 (0.40) CTSSHSD11B1
SCHEMBL2105653 0.76 GRIK1 (0.41)
SCHEMBL3067699 0.76 CTSS (0.56) CTSS
SCHEMBL3066021 0.75 CNR2 (0.43) NOTUMCTSSHSD11B1

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 NOTUM 2571/4885CTSS 1542/4885HSD11B1 2456/4885

“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.