Sugi Predict

Sugi Predict / Compounds / SCHEMBL2318331

SCHEMBL2318331

SCHEMBL2318331

C[C@H](N)C(=O)Nc1cccn(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 8/20 0.48
▸ XIAP P98170 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ GZMB P10144 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ MMP2 P08253 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ FCER2 P06734 1/20 0.44
▸ IL1RN P18510 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL10448470 0.75 CTRB1 (0.62) MMP1FCER2ERAP2ERAP1ALDH1A1
SCHEMBL22563313 0.75 CTRB1 (0.62) MMP1FCER2ERAP2ERAP1ALDH1A1
SCHEMBL6558302 0.71 ELANE (0.76) ELANE
SCHEMBL29655902 0.71 CTRB1 (0.57) MMP1FCER2ERAP2ERAP1
SCHEMBL4677854 0.70 GHSR (0.55) MMP1FCER2
SCHEMBL4678317 0.70 GHSR (0.55) MMP1FCER2
SCHEMBL2317036 0.69 XIAP (0.63) XIAPCASP1IL1RNERAP2ERAP1
SCHEMBL18166553 0.69 MAPK1 (0.67) ALDH1A1MEN1KMT2ALMNA
SCHEMBL18166534 0.69 MAPK1 (0.67) ALDH1A1MEN1KMT2ALMNA
SCHEMBL18166532 0.69 MAPK1 (0.67) ALDH1A1MEN1KMT2ALMNA

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 ELANE 2303/4885XIAP 1/4885CASP1 43/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 ELANE 2307/4885XIAP 1/4885CASP1 43/4885

“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.