SCHEMBL6161064

SCHEMBL6161064

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
CA2 P00918 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 1/20 0.43
BIRC2 Q13490 1/20 0.42
SLC1A3 P43003 1/20 0.42
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41

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
SCHEMBL6161042 1.00 GRIK1 (0.49) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL7304504 0.98 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL6138155 0.98 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL7066300 0.98 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL7075183 0.98 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL7069281 0.98 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8217023 0.98 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL8217020 0.98 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL6808467 0.98 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CA2
SCHEMBL27573982 0.98 GRIK1 (0.50) GRIK1GRIK2SLC1A2SLC1A1CA2

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 14 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
EP-1372692-A4 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR SLOAN KETTERING INST CANCER (US) 2005-10-26 EP 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
EP-1372692-A2 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR Sloan Kettering Institute For Cancer Research (US) 2004-01-02 EP 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
WO-2002074050-A2 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2002-09-26 WO disclosed
EP-0621270-B1 Piperazine derivatives as collagenase inhibitors SANKYO CO (JP) 2000-04-12 EP disclosed
US-5643908-A ANGIOGENESIS INHIBITOR, ANTITUMOR SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
EP-0621270-A1 COLLAGENASE INHIBITOR SANKYO COMPANY LIMITED (JP) 1994-10-26 EP 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 GRIK1 4803/4885GRIK2 4693/4885SLC1A2 2195/4885
US-20040019083-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor HASPIN, CYTH2, CYTH3 GRIK1 4814/4885GRIK2 4703/4885SLC1A2 2191/4885
US-20050272667-A1 Analogs and derivatives of (S,S,R)-(-)-actinonin and uses therefor CYTH3, ACTR3, HASPIN GRIK1 4809/4885GRIK2 4768/4885SLC1A2 2617/4885

“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.