SCHEMBL3065711

SCHEMBL3065711

O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1Cc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.56
KMT2A Q03164 1/20 0.45
RORC P51449 1/20 0.43
NAMPT P43490 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL3718920 1.00 CTSS (0.56) CTSSKMT2ARORCNAMPTCTSL
SCHEMBL3066401 0.93 CTSS (0.55) CTSSCTSLCTSBCTSK
SCHEMBL3723049 0.93 CTSS (0.55) CTSSCTSLCTSBCTSK
SCHEMBL3073013 0.86 CTSS (0.52) CTSSRORCNAMPTCTSLCTSB
SCHEMBL695092 0.83 CTSS (0.65) CTSSCTSLCTSB
SCHEMBL3716449 0.81 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL3056078 0.81 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL3719516 0.81 CTSS (0.50) CTSSCTSLCTSBCTSK
SCHEMBL3055416 0.81 CTSS (0.50) CTSSCTSLCTSBCTSK
SCHEMBL694579 0.80 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 CTSS 1542/4885KMT2A 3959/4885RORC 2221/4885

“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.