SCHEMBL5632036

SCHEMBL5632036

CC(C)(C)[CH]Cn1ccc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.36
AR P10275 1/20 0.36
PRMT6 Q96LA8 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.33
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.32
CCR1 P32246 1/20 0.32
XBP1 P17861 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 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
SCHEMBL13219768 0.79 MAPT (0.41) POLBLMNAMAPTHTTAR
SCHEMBL13310634 0.77 AR (0.45) POLBLMNAMAPTHTTAR
SCHEMBL950089 0.76 LMNA (0.45) POLBLMNAMAPTHTTAR
SCHEMBL5630369 0.75 ALDH1A1 (0.39) LMNAHTTKDM4EALDH1A1NPSR1
SCHEMBL24164523 0.74 POLB (0.43) POLBLMNAMAPTHTTAR
SCHEMBL5632040 0.74 POLB (0.39) POLBLMNAMAPTHTTAR
Hydrochloric Acid SCHEMBL34466127 0.74 LMNA (0.41) POLBLMNAMAPTHTTAR
SCHEMBL15417666 0.73 LMNA (0.43) POLBLMNAMAPTHTTAR
SCHEMBL4422519 0.72 MAPT (0.43) POLBLMNAMAPTHTTAR
SCHEMBL10716962 0.72 POLB (0.39) POLBLMNAMAPTHTTAR

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 6 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-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
EP-1448554-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SmithKline Beecham Corporation (US) 2004-08-25 EP disclosed
WO-2003031437-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SMITHKLINE BEECHAM CORPORATION (US) 2003-04-17 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 (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 POLB 3674/4885LMNA 3009/4885MAPT 3238/4885

“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.