SCHEMBL19051544

SCHEMBL19051544

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.50
▸ SLC15A2 Q16348 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ EPHX2 P34913 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ CCR2 P41597 1/20 0.42
▸ TBXAS1 P24557 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ CAPN1 P07384 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL19051562 0.93 SLC6A5 (0.49) SLC6A5SLC15A2CTSBCTSKEPHX2
SCHEMBL19051597 0.90 SLC6A5 (0.52) SLC6A5SLC15A2EPHX2FAAHCNR1
SCHEMBL19051546 0.89 SLC15A2 (0.52) SLC6A5SLC15A2EPHX2FAAHCNR1
SCHEMBL19051547 0.87 SLC15A2 (0.50) SLC6A5SLC15A2CTSBCTSKEPHX2
SCHEMBL19051563 0.87 SLC15A2 (0.52) SLC6A5SLC15A2EPHX2FAAHCNR1
SCHEMBL19051543 0.85 SLC6A5 (0.54) SLC6A5SLC15A2EPHX2FAAHCNR1
SCHEMBL19051541 0.85 SLC6A5 (0.50) SLC6A5SLC15A2EPHX2FAAHCNR1
SCHEMBL19051564 0.84 SLC15A2 (0.51) SLC6A5SLC15A2EPHX2FAAHCNR1
SCHEMBL27199085 0.83 SLC6A5 (0.60) SLC6A5SLC15A2CTSBCTSKFAAH
SCHEMBL27199086 0.83 SLC6A5 (0.60) SLC6A5SLC15A2CTSBCTSKFAAH

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 4413/4885CTSB 483/4885

“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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