SCHEMBL5629903

SCHEMBL5629903

CC(C)(C)[CH]Cn1cc(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.54
TEK Q02763 2/20 0.44
EPHB4 P54760 1/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPA1 O75762 1/20 0.39
KIF11 P52732 3/20 0.39
NPBWR1 P48145 1/20 0.38
KDR P35968 1/20 0.36
DYRK3 O43781 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
DYRK1A Q13627 1/20 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
SCHEMBL13763423 0.80 KCNH2 (0.60) KCNH2TEKEPHB4ALDH1A1LMNA
SCHEMBL5629908 0.78 KCNH2 (0.59) KCNH2TEKEPHB4ALDH1A1LMNA
SCHEMBL14384102 0.77 KCNH2 (0.56) KCNH2TEKEPHB4ALDH1A1LMNA
SCHEMBL5631700 0.75 KCNH2 (0.52) KCNH2TEKEPHB4ALDH1A1LMNA
SCHEMBL5630369 0.74 ALDH1A1 (0.39) KCNH2TEKEPHB4ALDH1A1LMNA
SCHEMBL13757452 0.72 KCNH2 (0.48) KCNH2TEKEPHB4ALDH1A1LMNA
SCHEMBL5632426 0.71 KIF11 (0.39) KCNH2ALDH1A1LMNAKDM4ECYP1A2
SCHEMBL19398620 0.71 KCNH2 (0.51) KCNH2TEKEPHB4ALDH1A1LMNA
SCHEMBL5632034 0.70 NPC1 (0.42) TEKALDH1A1LMNAKDR
SCHEMBL17493849 0.70 KCNH2 (1.00) KCNH2TEKEPHB4GRIN2B

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
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US claimed
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US claimed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US claimed
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 (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 KCNH2 2874/4885TEK 3652/4885EPHB4 3139/4885
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ KCNH2 1151/4885TEK 2111/4885EPHB4 4251/4885

“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.