SCHEMBL2881573

SCHEMBL2881573

O=C(NC(Cc1ccccc1)C(=O)N1CCCCC1C(=O)O)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
LTA4H P09960 5/20 0.59
ACE P12821 10/20 0.57
ACE2 Q9BYF1 6/20 0.57
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL10738901 0.86 ACE (0.59) LTA4HACEACE2
SCHEMBL10738897 0.86 ACE (0.59) LTA4HACEACE2
SCHEMBL2881129 0.85 LTA4H (0.60) LTA4HACEACE2
SCHEMBL2881133 0.85 LTA4H (0.60) LTA4HACEACE2
SCHEMBL6975531 0.84 LTA4H (0.64) LTA4HACEACE2ALDH1A1
SCHEMBL2881349 0.83 LTA4H (0.61) LTA4HACEACE2
SCHEMBL2881350 0.83 LTA4H (0.61) LTA4HACEACE2
SCHEMBL6442128 0.83 ACE (0.74) LTA4HACEACE2
SCHEMBL6442125 0.83 ACE (0.74) LTA4HACEACE2
SCHEMBL28255253 0.82 ACE (0.63) LTA4HACEACE2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7731949-B2 2010-06-08 US disclosed
EP-2076264-A2 COMPOUNDS AND METHODS FOR TREATMENT OF HCV XTL Biopharmaceuticals LTD (US) 2009-07-08 EP disclosed
US-20090041723-A1 Compounds and methods for treatment of HCV XTL BIOPHARMACEUTICALS LTD. (IL) 2009-02-12 US disclosed
WO-2008048589-A2 COMPOUNDS AND METHODS FOR TREATMENT OF HCV XTL BIOPHARMACEUTICALS LTD (US) 2008-04-24 WO 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-20090041723-A1 Compounds and methods for treatment of HCV HAVCR2, EIF2AK2, MAVS MEN1 4855/4885KMT2A 3973/4885LTA4H 1974/4885

“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.