SCHEMBL19059414

SCHEMBL19059414

O=C(O)CCCCC(=O)NC(Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.70
▸ EPHX2 P34913 1/20 0.61
▸ SLC15A2 Q16348 1/20 0.58
▸ ITGB2 P05107 3/20 0.55
▸ ICAM1 P05362 3/20 0.55
▸ ITGAL P20701 3/20 0.55
▸ TBXAS1 P24557 1/20 0.55
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ FAAH O00519 2/20 0.51
▸ CNR1 P21554 2/20 0.51
▸ CNR2 P34972 2/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ AGTR2 P50052 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47

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
SCHEMBL19051473 0.92 SLC6A5 (0.63) SLC6A5EPHX2SLC15A2ITGB2ICAM1
SCHEMBL9664616 0.90 SLC6A5 (0.85) SLC6A5EPHX2SLC15A2ITGB2ICAM1
SCHEMBL7257727 0.90 SLC15A2 (0.69) SLC6A5EPHX2SLC15A2ITGB2ICAM1
SCHEMBL9664374 0.89 SLC6A5 (0.87) SLC6A5EPHX2SLC15A2ITGB2ICAM1
SCHEMBL13279669 0.89 SLC6A5 (0.87) SLC6A5EPHX2SLC15A2ITGB2ICAM1
SCHEMBL15650015 0.89 SLC6A5 (0.87) SLC6A5EPHX2SLC15A2ITGB2ICAM1
SCHEMBL17817155 0.89 SLC6A5 (0.87) SLC6A5EPHX2SLC15A2ITGB2ICAM1
SCHEMBL22034112 0.89 SLC6A5 (0.87) SLC6A5EPHX2SLC15A2ITGB2ICAM1
SCHEMBL7887542 0.89 SLC6A5 (0.69) SLC6A5EPHX2SLC15A2ITGB2ICAM1
SCHEMBL4348859 0.89 SLC6A5 (0.87) SLC6A5EPHX2SLC15A2ITGB2ICAM1

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 1 patent. 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

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 3373/4885EPHX2 3269/4885SLC15A2 4413/4885

“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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