SCHEMBL5633196

SCHEMBL5633196

CC(C)(C)[C@H](O)Cn1ccc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
LMNA P02545 2/20 0.39
CTSK P43235 2/20 0.38
POLB P06746 3/20 0.37
AR P10275 1/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
ADRB1 P08588 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
IDH1 O75874 1/20 0.35
IDH2 P48735 1/20 0.35
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.33
XBP1 P17861 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL14384098 0.80 CCR1 (0.40) CCR1LMNACTSKPOLBAR
SCHEMBL25539674 0.78 CCR1 (0.39) CCR1LMNACTSKPOLBAR
SCHEMBL5631965 0.77 CTSK (0.52) CCR1LMNACTSKPOLBAR
SCHEMBL6406135 0.77 CTSK (0.44) LMNACTSKHTTNPSR1
SCHEMBL6403518 0.77 CTSK (0.44) LMNACTSKHTTNPSR1
SCHEMBL5631717 0.77 CTSK (0.44) LMNACTSKHTTNPSR1
SCHEMBL4422520 0.77 CCR1 (0.39) CCR1LMNACTSKPOLBAR
SCHEMBL5631966 0.76 CTSK (0.51) CCR1LMNACTSKPOLBAR
SCHEMBL5631968 0.76 CTSK (0.51) CCR1LMNACTSKPOLBAR
SCHEMBL13310634 0.74 AR (0.45) CCR1LMNAPOLBARMAPT

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 7 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-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US disclosed
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO 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 (2 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 CCR1 744/4885LMNA 3009/4885CTSK 1/4885
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ CCR1 3374/4885LMNA 736/4885CTSK 1/4885

“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.