SCHEMBL6523733

SCHEMBL6523733

NC1CC(C(F)(F)F)CN(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.32
RIPK1 Q13546 1/20 0.30

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
SCHEMBL27410286 0.84 CHRNB2 (0.41) SPR
SCHEMBL28408901 0.82 RIPK1 (0.35) SPRRIPK1
SCHEMBL3310289 0.81 GRM2 (0.32)
SCHEMBL23866581 0.80 CHRNB2 (0.46)
SCHEMBL21661510 0.80 CHRNB2 (0.46)
SCHEMBL21661355 0.80 CHRNB2 (0.46)
SCHEMBL19815798 0.80 GABRR1 (0.36)
SCHEMBL1907444 0.75
SCHEMBL20498553 0.75 DPP4 (0.33)
SCHEMBL22191115 0.75 DPP4 (0.33)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618103-B2 Inhibitors of JAK HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US disclosed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 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-20110059118-A1 INHIBITORS OF JAK JAK1, JAK3, JAK2 SPR 3853/4885RIPK1 311/4885

“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.