SCHEMBL243268

SCHEMBL243268

CC(C)(C)c1ccc(-n2cc(C(=O)O)nn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.47
ESRRA P11474 4/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
S1PR1 P21453 3/20 0.43
CA4 P22748 1/20 0.43
NOTUM Q6P988 1/20 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
SCHEMBL21852755 0.84 NOTUM (0.57) GPR119ESRRACA1CA2CA9
SCHEMBL26569707 0.82 ACKR3 (0.47) GPR119ESRRACA1CA2CA9
SCHEMBL3477570 0.82 CA1 (0.57) ESRRACA1CA2CA9CA12
SCHEMBL27877288 0.80 ESRRA (0.57) ESRRACA1CA2CA9CA4
SCHEMBL69876 0.80 ESRRA (0.62) ESRRACA1CA2CA9CA4
SCHEMBL16246067 0.79 GPR119 (0.42) GPR119ESRRACA1CA2CA9
SCHEMBL11902351 0.79 CA1 (0.57) ESRRACA1CA2CA9CA4
SCHEMBL2330243 0.79 CA1 (0.57) ESRRACA1CA2CA9CA12
SCHEMBL28801446 0.78 ESRRA (0.60) ESRRACA1CA2CA9CA4
SCHEMBL14532856 0.78 S1PR1 (0.50) ESRRACA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102946882-B Phenylalamine derivatives and as the purposes of non-peptide GLP-1-1 receptor modulators ARGUSINA, INC. (US) 2016-05-18 CN disclosed
WO-2014181287-A1 HETEROCYCLYL COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2014-11-13 WO disclosed
US-8748412-B2 Phenylalanine derivatives and their use as non-peptide GLP-1 receptor modulators ARGUSINA BIOSCIENCE INC. (KY) 2014-06-10 US disclosed
CN-102946882-A Phenylalanine derivatives and their use as non-peptide glp-1 receptor modulators ARGUSINA INC 2013-02-27 CN disclosed
EP-2531198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS Argusina Inc. (US) 2012-12-12 EP disclosed
US-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2012-01-05 US disclosed
WO-2011097300-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA, INC. (US) 2011-08-11 WO disclosed
US-20080220536-A1 Methods for Identifying Compounds that Modulate Enzymatic Activities by Employing Covalently Bonded Target-Extender Complexes with Ligand Candidates ERIANSON DANIEL A 2008-09-11 US disclosed
US-20080220536-A1 Methods for Identifying Compounds that Modulate Enzymatic Activities by Employing Covalently Bonded Target-Extender Complexes with Ligand Candidates ERIANSON DANIEL A 2008-09-11 US disclosed
US-7214487-B2 Methods for identifying compounds that modulate enzymatic activities by employing covalently bonded target-extender complexes with ligand candidates SUNESIS PHARMACEUTICALS, INC. (US) 2007-05-08 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-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, GPR119 GPR119 3/4885ESRRA 582/4885CA1 4794/4885

“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.