SCHEMBL2317772

SCHEMBL2317772

CCC(NC)C(=O)Nc1ccc(-c2ccc(F)cc2)n(CC(=O)N(CC)Cc2ccc(F)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.46
ELANE P08246 14/20 0.38
CTRC Q99895 1/20 0.36
PDE6D O43924 1/20 0.35
PLA2G7 Q13093 1/20 0.35

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
SCHEMBL2317766 1.00 TSPO (0.46) TSPOELANECTRCPDE6DPLA2G7
SCHEMBL2321922 0.90 TSPO (0.47) TSPOELANECTRCPDE6D
SCHEMBL2321927 0.90 TSPO (0.47) TSPOELANECTRCPDE6D
SCHEMBL4774551 0.84 TSPO (0.43) TSPOPDE6DPLA2G7
SCHEMBL2358720 0.83 ELANE (0.49) ELANE
SCHEMBL2358717 0.83 ELANE (0.49) ELANE
SCHEMBL2319278 0.76 XIAP (0.40) ELANE
SCHEMBL2319283 0.76 XIAP (0.40) ELANE
SCHEMBL2319275 0.76 XIAP (0.40) ELANE
SCHEMBL2316297 0.75 ELANE (0.36) ELANECTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US claimed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US claimed

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-20090069294-A1 Organic Compounds XIAP, BAX, MCL1 TSPO 1398/4885ELANE 2303/4885CTRC 4666/4885

“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.