SCHEMBL6440662

SCHEMBL6440662

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 16/20 1.00
ACE P12821 14/20 1.00
CPA1 P15085 2/20 0.54
ACE2 Q9BYF1 2/20 0.54
PIN1 Q13526 2/20 0.48

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
SCHEMBL6440665 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8033744 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8030485 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8032890 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8027151 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8018079 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8029483 0.93 MME (0.86) MMEACECPA1ACE2
SCHEMBL8027652 0.93 MME (0.86) MMEACECPA1ACE2PIN1
SCHEMBL8448452 0.93 MME (0.86) MMEACECPA1ACE2
SCHEMBL8027300 0.92 MME (0.85) 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 2 patents. 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
WO-2005016249-A2 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 (US) 2005-02-24 WO 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.