SCHEMBL2105809

SCHEMBL2105809

FC(F)(F)CCOc1[c]cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
MCHR1 Q99705 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL2105140 0.83 ALDH1A1 (0.32) HSP90AA1HSP90AB1
SCHEMBL2968624 0.77 NPC1 (0.38)
SCHEMBL9529290 0.77
SCHEMBL2971835 0.76 LTA4H (0.38)
SCHEMBL28489132 0.75 SMN1; SMN2 (0.38)
SCHEMBL2974066 0.73 L3MBTL1 (0.37)
SCHEMBL592798 0.73 GRIA1 (0.31)
SCHEMBL16395362 0.70 POLB (0.38)
SCHEMBL9723567 0.70 L3MBTL1 (0.31)
SCHEMBL2089352 0.70

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-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 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
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 EPHX2 3791/4885MCHR1 699/4885HSP90AA1 686/4885

“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.