SCHEMBL2358720

SCHEMBL2358720

CCC(NC)C(=O)Nc1ccc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(F)cc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.49
CES2 O00748 1/20 0.46
F7 P08709 2/20 0.44
F3 P13726 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2358717 1.00 ELANE (0.49) ELANECES2F7F3ALDH1A1
SCHEMBL3846277 0.89 ELANE (0.50) ELANECES2F7F3ALDH1A1
SCHEMBL3846281 0.89 ELANE (0.50) ELANECES2F7F3ALDH1A1
SCHEMBL2317459 0.86 ELANE (0.56) ELANEF7F3
SCHEMBL4767533 0.84 CES2 (0.45) ELANECES2ALDH1A1TP53KDM4E
SCHEMBL2317766 0.83 TSPO (0.46) ELANE
SCHEMBL2317772 0.83 TSPO (0.46) ELANE
SCHEMBL12104568 0.79 ELANE (0.61) ELANEF7F3
SCHEMBL2317925 0.77 ELANE (0.42) ELANEALDH1A1KDM4E
SCHEMBL2318958 0.76 XIAP (0.56) ALDH1A1

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 ELANE 2303/4885CES2 3297/4885F7 4598/4885

“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.