SCHEMBL5630646

SCHEMBL5630646

CC(C)C(C)Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.42
CTSS P25774 6/20 0.42
CTSB P07858 4/20 0.42
CTSV O60911 3/20 0.40
CTSL P07711 1/20 0.40
TRPV3 Q8NET8 8/20 0.38
KCNH2 Q12809 1/20 0.37
MGAM O43451 4/20 0.36
GAA P10253 4/20 0.36
SI P14410 4/20 0.36
MGAM2 Q2M2H8 4/20 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
SCHEMBL14384099 0.88 CTSK (0.42) CTSKCTSSCTSBCTSVCTSL
SCHEMBL6403518 0.83 CTSK (0.44) CTSKCTSSCTSBCTSVCTSL
SCHEMBL5631717 0.83 CTSK (0.44) CTSKCTSSCTSBCTSVCTSL
SCHEMBL6406135 0.83 CTSK (0.44) CTSKCTSSCTSBCTSVCTSL
SCHEMBL14405047 0.80 ACSS2 (0.43) CTSKCTSSCTSBCTSVCTSL
SCHEMBL28825602 0.76 ALDH1A1 (0.51) KCNH2
SCHEMBL5630373 0.75 KCNH2 (0.40) CTSKCTSSCTSBCTSVCTSL
SCHEMBL5630369 0.74 ALDH1A1 (0.39) CTSKCTSSCTSBCTSVCTSL
SCHEMBL2629316 0.73 KEAP1 (0.58) KCNH2
SCHEMBL31128117 0.72 ALDH1A1 (0.52)

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-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US disclosed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 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-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases CTSK, CTSB, CTSS CTSK 1/4885CTSS 3/4885CTSB 2/4885

“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.