SCHEMBL5533157

SCHEMBL5533157

CC(C)N(C(=O)O)c1cccc(Br)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CLK1 P49759 1/20 0.35
HPGD P15428 1/20 0.35
STAT3 P40763 1/20 0.34
GRM5 P41594 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HTR1A P08908 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGES O14684 1/20 0.31

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
SCHEMBL10261793 0.80 USP30 (0.39) CLK1HTR1ANPSR1
SCHEMBL1400663 0.77 CLK1 (0.40) ALDH1A1CLK1HPGDGRM5KMT2A
SCHEMBL12987971 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CLK1HPGDSTAT3
SCHEMBL2181845 0.77 CLK1 (0.38) ALDH1A1CLK1HPGDSTAT3GRM5
SCHEMBL5534329 0.76 MGLL (0.39) ALDH1A1LMNATP53SMN1; SMN2GRM5
SCHEMBL3415515 0.75 GRM5 (0.38) ALDH1A1SMN1; SMN2CLK1HPGDSTAT3
SCHEMBL69183 0.75 CLK1 (0.36) ALDH1A1LMNACLK1HPGDSTAT3
SCHEMBL27854835 0.74 ALDH1A1 (0.37) ALDH1A1CLK1HPGDGRM5HTR1A
SCHEMBL7656856 0.73 CLK1 (0.38) ALDH1A1CLK1HPGDSTAT3GRM5
SCHEMBL6632726 0.73 HTR7 (0.42) CLK1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
EP-1805187-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-07-11 EP disclosed
WO-2006043145-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-04-27 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-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same SERPINB1, CTSC, CTSV ALDH1A1 698/4885LMNA 2240/4885TP53 647/4885

“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.