SCHEMBL3850352

SCHEMBL3850352

CN[C@@H](C)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cccc(Oc3ccc(F)cc3)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
PTGER3 P43115 3/20 0.40
DRD2 P14416 2/20 0.40
BACE1 P56817 1/20 0.39
ELANE P08246 4/20 0.39
FAAH O00519 2/20 0.39
CTRC Q99895 1/20 0.38
FPR1 P21462 1/20 0.38
GRK2 P25098 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL3850357 1.00 MMP13 (0.41) MMP13PTGER3DRD2BACE1ELANE
SCHEMBL2316006 0.97 ELANE (0.41) MMP13PTGER3DRD2BACE1ELANE
SCHEMBL2315997 0.97 ELANE (0.41) MMP13PTGER3DRD2BACE1ELANE
SCHEMBL1328244 0.91 ELANE (0.43) DRD2ELANEFAAHCTRC
SCHEMBL1328242 0.91 ELANE (0.43) DRD2ELANEFAAHCTRC
SCHEMBL2314687 0.90 PTGER3 (0.41) MMP13PTGER3BACE1ELANEFAAH
SCHEMBL2314681 0.90 PTGER3 (0.41) MMP13PTGER3BACE1ELANEFAAH
SCHEMBL380488 0.88 P2RX3 (0.38) BACE1ELANESCN9A
SCHEMBL380328 0.88 P2RX3 (0.38) BACE1ELANESCN9A
SCHEMBL2319046 0.87 PTGER3 (0.41) MMP13PTGER3BACE1ELANECTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US claimed
EP-1902065-A2 CYCLIC AMIDE DERIVATIVES INHIBITORS OF THE INHIBITOR OF APOPTOSIS PROTEINS, THEIR PREPARATION, AND THEIR USE Novartis AG (CH) 2008-03-26 EP claimed
WO-2006133147-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-12-14 WO claimed
US-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
US-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
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
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 (2 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 MMP13 4022/4885PTGER3 4550/4885DRD2 4444/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 MMP13 4022/4885PTGER3 4551/4885DRD2 4444/4885

“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.