SCHEMBL19051570

SCHEMBL19051570

O=C(O)CCC(NC(=O)CC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 4/20 0.39
▸ FOLH1 Q04609 5/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RIMKLA Q8IXN7 1/20 0.36
▸ BMP1 P13497 2/20 0.35
▸ SLC15A2 Q16348 1/20 0.35
▸ MME P08473 1/20 0.34
▸ ECE1 P42892 1/20 0.34
▸ ERAP2 Q6P179 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL19051600 0.92 NAALAD2 (0.37) NAALAD2FOLH1HPGDKDM4ERIMKLA
SCHEMBL29893883 0.89 PIN1 (0.34) NAALAD2MME
SCHEMBL19051569 0.88 GNPAT (0.40) NAALAD2FOLH1RIMKLABMP1MME
SCHEMBL2150241 0.88 GART (0.42) NAALAD2FOLH1SLC15A2
SCHEMBL7807950 0.86 SLC15A2 (0.49) NAALAD2FOLH1HPGDKDM4ERIMKLA
SCHEMBL31453804 0.86 NAALAD2 (0.38) NAALAD2FOLH1RIMKLASLC15A2ERAP2
SCHEMBL30561495 0.86 ERAP2 (0.40) NAALAD2FOLH1ERAP2
SCHEMBL31453798 0.86 NAALAD2 (0.38) NAALAD2FOLH1RIMKLASLC15A2ERAP2
SCHEMBL30770813 0.85 BACE1 (0.40) NAALAD2BMP1ERAP2
SCHEMBL30626120 0.85 NAALAD2 (0.37) NAALAD2FOLH1RIMKLAERAP2

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-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 — — US disclosed
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 — — 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-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES ACE, ACE2, MCTS1 NAALAD2 2180/4885FOLH1 4197/4885HPGD 2571/4885

“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.

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