SCHEMBL6294116

SCHEMBL6294116

CCCCCC(CC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.62
MMP3 P08254 12/20 0.62
MMP1 P03956 10/20 0.62
BIRC2 Q13490 1/20 0.61
MMP7 P09237 6/20 0.59
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51

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
SCHEMBL8055025 0.91 MMP2 (0.77) MMP2MMP3MMP1MMP7
SCHEMBL8469705 0.88 MMP2 (0.50) MMP2MMP3MMP1BIRC2MMP7
SCHEMBL8468208 0.85 BIRC2 (0.46) MMP2MMP3MMP1BIRC2MMP7
SCHEMBL8828135 0.83 MMP3 (0.72) MMP2MMP3MMP1MMP7
SCHEMBL29232996 0.82 MME (0.67) MMP2MMP3MMP1BIRC2MMP7
SCHEMBL4289464 0.82 ACE (0.54) MMP2MMP7MMEACECPA1
SCHEMBL4289468 0.82 ACE (0.54) MMP2MMP7MMEACECPA1
SCHEMBL8828145 0.82 MMP2 (0.61) MMP2MMP3MMP1MMP7
SCHEMBL8828128 0.81 MMP1 (0.72) MMP2MMP3MMP1MMP7
SCHEMBL8828106 0.81 MMP1 (0.75) MMP2MMP3MMP1MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040019083-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2004-01-29 US claimed
US-6660741-B2 Coupling an O-protected methoxypyrrolidine or derivatives with N-protected amino acid 2,5-dioxo-pyrrolidinyl ester to form intermediate, deportecting with trifluoroacetic acid to form pyrrolidine-1-carbonyl-2-methylamine or derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-12-09 US claimed
US-20020198156-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2002-12-26 US claimed
US-20050272667-A1 Analogs and derivatives of (S,S,R)-(-)-actinonin and uses therefor SCHEINBERG DAVID 2005-12-08 US disclosed
US-6887887-B2 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2005-05-03 US disclosed
US-20040019083-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2004-01-29 US disclosed
US-6660741-B2 Coupling an O-protected methoxypyrrolidine or derivatives with N-protected amino acid 2,5-dioxo-pyrrolidinyl ester to form intermediate, deportecting with trifluoroacetic acid to form pyrrolidine-1-carbonyl-2-methylamine or derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-12-09 US disclosed
US-20020198156-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2002-12-26 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 (3 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-20020198156-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor HASPIN, CYTH2, ACTR3 MMP2 2210/4885MMP3 2111/4885MMP1 3205/4885
US-20040019083-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor HASPIN, CYTH2, CYTH3 MMP2 2144/4885MMP3 2147/4885MMP1 3199/4885
US-20050272667-A1 Analogs and derivatives of (S,S,R)-(-)-actinonin and uses therefor CYTH3, ACTR3, HASPIN MMP2 1607/4885MMP3 1631/4885MMP1 3317/4885

“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.