SCHEMBL6164069

SCHEMBL6164069

NC(Cc1ccccc1)C(=O)N1CCCC1CO

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.67
DPP8 Q6V1X1 4/20 0.67
DPP9 Q86TI2 4/20 0.67
DPP7 Q9UHL4 4/20 0.67
FAP Q12884 2/20 0.67
F2 P00734 3/20 0.59
PRSS1 P07477 1/20 0.59
TACR1 P25103 1/20 0.55
ACE P12821 1/20 0.53

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
SCHEMBL6164541 0.85 F2 (0.62) DPP4DPP8DPP9DPP7FAP
SCHEMBL6162266 0.84 DPP4 (0.73) DPP4DPP8DPP9DPP7FAP
SCHEMBL31026624 0.83 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL6436643 0.83 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL29666849 0.83 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL24989201 0.83 DPP4 (0.69) DPP4DPP8DPP9DPP7FAP
SCHEMBL5900809 0.83 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL7375090 0.83 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL3726263 0.83 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL3726264 0.83 ACE (0.70) DPP4DPP8DPP9DPP7FAP

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 11 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

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 DPP4 4678/4885DPP8 4804/4885DPP9 4880/4885
US-20040019083-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor HASPIN, CYTH2, CYTH3 DPP4 4641/4885DPP8 4783/4885DPP9 4880/4885
US-20050272667-A1 Analogs and derivatives of (S,S,R)-(-)-actinonin and uses therefor CYTH3, ACTR3, HASPIN DPP4 4609/4885DPP8 4753/4885DPP9 4879/4885

“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.