Sugi Predict

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SCHEMBL2211272

SCHEMBL2211272

CN[C@@H](C)C(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(F)cc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 16/20 0.54
▸ CES2 O00748 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CMA1 P23946 1/20 0.44
▸ CTRC Q99895 1/20 0.44
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 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
SCHEMBL2213292 1.00 ELANE (0.54) ELANECES2KDM4EALDH1A1CMA1
SCHEMBL2211233 0.92 ELANE (0.53) ELANECES2
SCHEMBL14174412 0.92 ELANE (0.53) ELANECES2
SCHEMBL3846277 0.86 ELANE (0.50) ELANECES2KDM4EALDH1A1CTRC
SCHEMBL3846281 0.86 ELANE (0.50) ELANECES2KDM4EALDH1A1CTRC
SCHEMBL2209970 0.83 F7 (0.49) ELANECES2KDM4EALDH1A1
SCHEMBL2209964 0.83 F7 (0.49) ELANECES2KDM4EALDH1A1
SCHEMBL2211805 0.83 ELANE (0.58) ELANECMA1
SCHEMBL2317449 0.81 ELANE (0.56) ELANECTRC
SCHEMBL2317459 0.81 ELANE (0.56) ELANECTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 — — US claimed
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 — — EP claimed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 — — US claimed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 — — US disclosed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 — — US disclosed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 — — US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 — — US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 — — US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 — — US disclosed
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 — — EP disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 — — US disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 — — US disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 — — 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-20110319614-A1 Organic Compounds XIAP, BIRC5, BIRC3 ELANE 592/4885CES2 2764/4885KDM4E 3564/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 ELANE 592/4885CES2 2764/4885KDM4E 3564/4885

“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.