SCHEMBL19051569

SCHEMBL19051569

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 2/20 0.40
▸ CPA1 P15085 1/20 0.39
▸ CPA2 P48052 1/20 0.39
▸ CPA4 Q9UI42 1/20 0.39
▸ NAALAD2 Q9Y3Q0 3/20 0.39
▸ BACE1 P56817 3/20 0.37
▸ FOLH1 Q04609 4/20 0.36
▸ RIMKLA Q8IXN7 1/20 0.36
▸ BMP1 P13497 2/20 0.36
▸ ERAP2 Q6P179 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ TNF P01375 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ MME P08473 1/20 0.34
▸ ECE1 P42892 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL19051620 0.93 GNPAT (0.44) GNPATCPA1CPA2CPA4FOLH1
SCHEMBL11134385 0.91 GNPAT (0.47) GNPATPTPN1TNFMME
SCHEMBL19051600 0.90 NAALAD2 (0.37) NAALAD2BACE1FOLH1RIMKLABMP1
SCHEMBL30561495 0.89 ERAP2 (0.40) NAALAD2BACE1FOLH1ERAP2BACE2
SCHEMBL30632045 0.88 MAGI3 (0.39) GNPATCPA1CPA2CPA4BACE1
SCHEMBL19051570 0.88 NAALAD2 (0.39) NAALAD2FOLH1RIMKLABMP1ERAP2
SCHEMBL20230298 0.88 CPA1 (0.35) GNPATCPA1CPA2CPA4BMP1
SCHEMBL31094977 0.88 PTPN1 (0.46) GNPATBACE1FOLH1ERAP2PTPN1
SCHEMBL6026424 0.88 ALOX15 (0.42) GNPATTNF
SCHEMBL61370 0.88 ALOX15 (0.42) GNPATTNF

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 GNPAT 2714/4885CPA1 721/4885CPA2 919/4885

“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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