SCHEMBL2354496

SCHEMBL2354496

CCC(CC)Cn1c(=O)oc(=O)c2cnc(SC)nc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
ELANE P08246 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL11165276 0.78 ALDH1A1 (0.39) MEN1KMT2A
SCHEMBL1523079 0.77 TSHR (0.46) ELANEMEN1KMT2A
SCHEMBL11162267 0.76 PIM1 (0.37) ELANEMEN1KMT2A
SCHEMBL11156065 0.71 PDE5A (0.47) MEN1KMT2A
SCHEMBL1227465 0.64 EEF2K (0.35) MEN1KMT2A
SCHEMBL11168065 0.62 ADORA1 (0.41) ELANEKMT2A
SCHEMBL12639123 0.62 MEN1 (0.39) MEN1KMT2A
SCHEMBL11158214 0.61 ADORA2A (0.40) ELANEMEN1KMT2A
SCHEMBL11495935 0.61 ADORA1 (0.50) ELANEMEN1KMT2A
SCHEMBL6801181 0.60 CDK4 (0.44)

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
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 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 (4 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB F7 1423/4885F3 1527/4885ELANE 143/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB F7 1423/4885F3 1527/4885ELANE 143/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT F7 2717/4885F3 1212/4885ELANE 89/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB F7 1423/4885F3 1527/4885ELANE 143/4885

“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.