SCHEMBL2881350

SCHEMBL2881350

O=C(CC1CCCC1)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.61
ACE P12821 9/20 0.56
ACE2 Q9BYF1 7/20 0.56
TSHR P16473 1/20 0.55

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
SCHEMBL2881349 1.00 LTA4H (0.61) LTA4HACEACE2TSHR
SCHEMBL2881129 0.99 LTA4H (0.60) LTA4HACEACE2TSHR
SCHEMBL2881133 0.99 LTA4H (0.60) LTA4HACEACE2TSHR
SCHEMBL11060360 0.84 LTA4H (0.61) LTA4HACEACE2TSHR
SCHEMBL8279537 0.83 ACE (0.61) LTA4HACEACE2TSHR
SCHEMBL8258582 0.83 ACE (0.61) LTA4HACEACE2TSHR
SCHEMBL14428591 0.83 ACE (0.61) LTA4HACEACE2TSHR
SCHEMBL2881573 0.83 MEN1 (0.59) LTA4HACEACE2
SCHEMBL6975531 0.83 LTA4H (0.64) LTA4HACEACE2
SCHEMBL15692329 0.83 ACE (0.68) LTA4HACEACE2TSHR

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 LTA4H 1974/4885ACE 241/4885ACE2 220/4885

“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.