SCHEMBL12433645

SCHEMBL12433645

C[C@@H](C(=O)Nc1ccc(-c2ccccc2)n(Cc2cccc(Oc3ccccc3)c2)c1=O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.42
CTRC Q99895 1/20 0.42
PTGES O14684 1/20 0.41
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL1330227 0.89 ELANE (0.45) ELANECTRC
SCHEMBL1328242 0.88 ELANE (0.43) ELANECTRCFFAR1
SCHEMBL1328244 0.88 ELANE (0.43) ELANECTRCFFAR1
SCHEMBL2316006 0.83 ELANE (0.41) ELANECTRC
SCHEMBL2315997 0.83 ELANE (0.41) ELANECTRC
SCHEMBL2319046 0.81 PTGER3 (0.41) ELANECTRCKDM4EMEN1ALDH1A1
SCHEMBL2319040 0.81 PTGER3 (0.41) ELANECTRCKDM4EMEN1ALDH1A1
SCHEMBL3850352 0.79 MMP13 (0.41) ELANECTRC
SCHEMBL3850357 0.79 MMP13 (0.41) ELANECTRC
SCHEMBL2314687 0.78 PTGER3 (0.41) ELANEMEN1KMT2A

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 disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 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 (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 2303/4885CTRC 4666/4885PTGES 3089/4885

“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.