SCHEMBL2057057

SCHEMBL2057057

CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC[N+](CC(=O)OC(C)(C)C)(CC(=O)OC(C)(C)C)Cc1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.36
NR1H3 Q13133 1/20 0.34
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
CA4 P22748 4/20 0.33
PPIB P23284 1/20 0.30
PPIA P62937 1/20 0.30
PPID Q08752 1/20 0.30
PPIG Q13427 1/20 0.30

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
SCHEMBL668012 0.78 TDP1 (0.41) CA1CA2CA4
SCHEMBL7504982 0.76 CA2 (0.49) CA1CA2CA4PPIBPPIA
SCHEMBL3748687 0.72 NR1D1 (0.36) NR1D1NR1H3CA1CA2CA4
SCHEMBL19458 0.71 TDP1 (0.42) NR1D1NR1H3CA1CA2CA4
SCHEMBL479237 0.70 MTNR1A (0.46) PPIBPPIAPPIDPPIG
SCHEMBL8019716 0.70 AKT1 (0.39)
SCHEMBL8928353 0.70 PPARA (0.36) NR1D1NR1H3CA1CA2CA4
SCHEMBL12761956 0.70 NR1D1 (0.34) NR1D1NR1H3PPIBPPIAPPID
SCHEMBL7562431 0.68 AKT1 (0.49) NR1D1NR1H3
SCHEMBL3778391 0.68 NR1D1 (0.39) NR1D1NR1H3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160025713-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS LIFE TECHNOLOGIES CORP (US) 2016-01-28 US disclosed
US-9164099-B2 Site-specific labeling of affinity tags in fusion proteins Life Technologies Corporation (US) 2015-10-20 US disclosed
US-20140038856-A1 Site-specific labeling of affinity tags in fusion proteins Life Technologies Corporation (US) 2014-02-06 US disclosed
US-20120270757-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS Life Technologies Corporation (US) 2012-10-25 US disclosed
US-20110021372-A1 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2011-01-27 US disclosed
US-7776533-B2 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2010-08-17 US disclosed
US-20100009381-A1 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2010-01-14 US disclosed
US-20090081722-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS INVITROGEN CORPORATION (US) 2009-03-26 US disclosed
US-20090004641-A1 SITE-SPECIFIC LABELING OF AFFINITY PEPTIDES IN FUSION PROTEINS INVITROGEN CORPORATION (US) 2009-01-01 US disclosed
US-7445894-B2 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. (US) 2008-11-04 US disclosed
EP-1546359-A4 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS MOLECULAR PROBES INC (US) 2007-05-09 EP disclosed
US-20070054304-A1 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES INVITROGEN CORPORATION (US) 2007-03-08 US disclosed
US-7102005-B2 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. (US) 2006-09-05 US disclosed
US-20060141554-A1 Site-specific labeling of affinity tags in fusion proteins INVITROGEN CORP. 2006-06-29 US disclosed
US-20050233307-A1 Site-specific labeling of affinity tags in fusion proteins Life Technologies Corporation 2005-10-20 US disclosed
EP-1546359-A2 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS Molecular Probes Inc. (US) 2005-06-29 EP disclosed
US-20050014197-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2005-01-20 US disclosed
US-20040171034-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2004-09-02 US disclosed
WO-2004025259-A2 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS MOLECULAR PROBES, INC. (US) 2004-03-25 WO disclosed
US-20040038306-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2004-02-26 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 (5 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-20060141554-A1 Site-specific labeling of affinity tags in fusion proteins APBA1, F13A1, F13B NR1D1 3418/4885NR1H3 3709/4885CA1 204/4885
US-20160025713-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS APBA1, F13A1, F13B NR1D1 3418/4885NR1H3 3709/4885CA1 204/4885
US-20090004641-A1 SITE-SPECIFIC LABELING OF AFFINITY PEPTIDES IN FUSION PROTEINS APBA1, F13A1, HM13 NR1D1 3419/4885NR1H3 3861/4885CA1 187/4885
US-20120270757-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS APBA1, NAPA, F13B NR1D1 3202/4885NR1H3 3664/4885CA1 341/4885
US-20090081722-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS APBA1, F13A1, F13B NR1D1 3418/4885NR1H3 3709/4885CA1 204/4885

“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.