Sugi Predict

Sugi Predict / Compounds / SCHEMBL2319040

SCHEMBL2319040

SCHEMBL2319040

CC[C@H](NC)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cccc(Oc3ccc(F)cc3)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 4/20 0.41
▸ BACE1 P56817 2/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ ELANE P08246 6/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CTRC Q99895 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MME P08473 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ P2RX3 P56373 1/20 0.38

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
SCHEMBL2319046 1.00 PTGER3 (0.41) PTGER3BACE1MMP13SCN9AELANE
SCHEMBL2314687 0.97 PTGER3 (0.41) PTGER3BACE1MMP13SCN9AELANE
SCHEMBL2314681 0.97 PTGER3 (0.41) PTGER3BACE1MMP13SCN9AELANE
SCHEMBL2316006 0.91 ELANE (0.41) PTGER3BACE1MMP13ELANECTRC
SCHEMBL2315997 0.91 ELANE (0.41) PTGER3BACE1MMP13ELANECTRC
SCHEMBL3850352 0.87 MMP13 (0.41) PTGER3BACE1MMP13SCN9AELANE
SCHEMBL3850357 0.87 MMP13 (0.41) PTGER3BACE1MMP13SCN9AELANE
SCHEMBL2319595 0.86 PTGER3 (0.40) PTGER3ELANEMEN1KMT2AKDM4E
SCHEMBL2319590 0.86 PTGER3 (0.40) PTGER3ELANEMEN1KMT2AKDM4E
SCHEMBL2319327 0.86 ELANE (0.43) ELANEKMT2AKDM4EALDH1A1CTRC

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 10 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
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 PTGER3 4550/4885BACE1 248/4885MMP13 4022/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 PTGER3 4551/4885BACE1 248/4885MMP13 4022/4885

“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.