SCHEMBL6442555

SCHEMBL6442555

C[C@H](NC(=O)[C@@H](CSC(=O)c1ccccc1)[C@@H](C)c1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.64
GPR139 Q6DWJ6 1/20 0.50
ACE P12821 5/20 0.43

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
SCHEMBL6442561 1.00 MME (0.64) MMEGPR139ACE
SCHEMBL7416489 0.87 MME (0.67) MMEACE
SCHEMBL7416486 0.87 MME (0.67) MMEACE
SCHEMBL10943157 0.79 GPR139 (0.46) MMEGPR139ACE
SCHEMBL10943154 0.79 GPR139 (0.46) MMEGPR139ACE
SCHEMBL7418458 0.78 MME (1.00) MME
SCHEMBL29384844 0.78 MME (1.00) MME
SCHEMBL7314977 0.78 MME (1.00) MME
SCHEMBL10939768 0.78 CTSL (0.45) MMEGPR139
SCHEMBL10940275 0.78 CTSL (0.45) MMEGPR139

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 5 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
EP-0729936-B1 Process for the synthesis of alpha substituted acrylic acids and N-(mercaptoacyl)amino acids BIOPROJET SOC CIV (FR) 1999-07-07 EP claimed
US-11619037-B2 Pre-rinse tank with managed flow release THERMACO INCORPORATED (US) 2023-04-04 US disclosed
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 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-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 76/4885GPR139 3037/4885ACE 1/4885

“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.