SCHEMBL6439615

SCHEMBL6439615

CCCCOC(=O)[C@@H](O)CN(CC(C)C)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.77
ACE P12821 14/20 0.77
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
PIN1 Q13526 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL8511466 1.00 MME (0.77) MMEACECPA1ACE2ITGB1
SCHEMBL8028693 1.00 MME (0.77) MMEACECPA1ACE2ITGB1
SCHEMBL6439617 1.00 MME (0.77) MMEACECPA1ACE2ITGB1
SCHEMBL8018074 0.91 MME (0.83) MMEACECPA1ACE2PIN1
SCHEMBL8027544 0.91 MME (0.83) MMEACECPA1ACE2PIN1
SCHEMBL27441337 0.91 MME (0.83) MMEACECPA1ACE2PIN1
SCHEMBL8026924 0.89 MME (0.76) MMEACECPA1ACE2ITGB1
SCHEMBL8030644 0.89 MME (0.76) MMEACECPA1ACE2ITGB1
SCHEMBL7568461 0.88 MME (0.67) MMEACECPA1ACE2ITGB1
SCHEMBL8016985 0.88 MME (0.81) MMEACECPA1ACE2

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-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-03-31 US claimed

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-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage ACE, ACE2, AGTR2 MME 76/4885ACE 1/4885CPA1 25/4885

“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.