SCHEMBL244341

SCHEMBL244341

Cc1cccc(-c2ccc(C(=O)O)o2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.67
NR4A2 P43354 1/20 0.67
NR4A3 Q92570 1/20 0.67
SLC9A1 P19634 1/20 0.65
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
RPA1 P27694 1/20 0.51
C3AR1 Q16581 1/20 0.50
KCNH2 Q12809 1/20 0.49
S1PR4 O95977 2/20 0.49

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
SCHEMBL4943045 0.84 SLC9A1 (0.62) NR4A1NR4A2NR4A3SLC9A1ALDH1A1
SCHEMBL31686383 0.81 NR4A1 (0.69) NR4A1NR4A2NR4A3ALDH1A1HPGD
SCHEMBL1313933 0.81 NR4A1 (0.69) NR4A1NR4A2NR4A3ALDH1A1HPGD
SCHEMBL3741650 0.81 SLC9A1 (0.67) NR4A1NR4A2NR4A3SLC9A1ALDH1A1
SCHEMBL3005513 0.81 NR4A1 (0.63) NR4A1NR4A2NR4A3SLC9A1ALDH1A1
SCHEMBL3050183 0.80 NR4A1 (1.00) NR4A1NR4A2NR4A3SLC9A1ALDH1A1
SCHEMBL3061978 0.80 NR4A1 (0.67) NR4A1NR4A2NR4A3SLC9A1ALDH1A1
SCHEMBL4532675 0.80 NR4A1 (0.67) NR4A1NR4A2NR4A3SLC9A1ALDH1A1
SCHEMBL12877043 0.80 SLC9A1 (0.51) NR4A1NR4A2NR4A3SLC9A1ALDH1A1
SCHEMBL307282 0.80 ALDH1A1 (0.92) NR4A1NR4A2NR4A3SLC9A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
WO-2019175464-A1 COMPOUNDS USEFUL AS INHIBITORS OF SODIUM-CALCIUM EXCHANGER (NCX) ORION CORPORATION (FI) 2019-09-19 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
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
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 US disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 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 (4 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 NR4A1 2007/4885NR4A2 2652/4885NR4A3 2311/4885
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA NR4A1 317/4885NR4A2 924/4885NR4A3 599/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 NR4A1 284/4885NR4A2 877/4885NR4A3 579/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE NR4A1 4619/4885NR4A2 4337/4885NR4A3 4349/4885

“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.