SCHEMBL19051543

SCHEMBL19051543

CC(O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)CCCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.54
▸ SLC15A2 Q16348 1/20 0.53
▸ EPHX2 P34913 1/20 0.48
▸ ITGB2 P05107 2/20 0.44
▸ ICAM1 P05362 2/20 0.44
▸ ITGAL P20701 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ TBXAS1 P24557 1/20 0.43
▸ REN P00797 3/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ CAPN1 P07384 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL19051564 0.92 SLC15A2 (0.51) SLC6A5SLC15A2EPHX2FAAHCNR1
SCHEMBL19051562 0.91 SLC6A5 (0.49) SLC6A5SLC15A2EPHX2FAAHCNR1
SCHEMBL19051541 0.89 SLC6A5 (0.50) SLC6A5SLC15A2EPHX2ITGB2ICAM1
SCHEMBL19051546 0.86 SLC15A2 (0.52) SLC6A5SLC15A2EPHX2ITGB2ICAM1
SCHEMBL19051544 0.85 SLC6A5 (0.50) SLC6A5SLC15A2EPHX2ITGB2ICAM1
SCHEMBL19051545 0.84 SLC15A2 (0.53) SLC6A5SLC15A2EPHX2ITGB2ICAM1
SCHEMBL19051550 0.84 SLC15A2 (0.61) SLC6A5SLC15A2EPHX2ITGB2ICAM1
SCHEMBL27199097 0.83 SLC6A5 (0.68) SLC6A5SLC15A2EPHX2ITGB2ICAM1
SCHEMBL27199088 0.83 SLC6A5 (0.68) SLC6A5SLC15A2EPHX2ITGB2ICAM1
SCHEMBL19051597 0.83 SLC6A5 (0.52) SLC6A5SLC15A2EPHX2ITGB2ICAM1

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 SLC6A5 3373/4885SLC15A2 4413/4885EPHX2 3269/4885

“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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