SCHEMBL403432

SCHEMBL403432

Nc1ccc(C#CC#Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
RARB P10826 2/20 0.50
RARG P13631 2/20 0.50
MAPT P10636 2/20 0.48
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
PTPN11 Q06124 1/20 0.47
SRD5A2 P31213 1/20 0.43
CYP26A1 O43174 1/20 0.41
CYP3A4 P08684 1/20 0.41
RARA P10276 1/20 0.41
CRABP2 P29373 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA3 P07451 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 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
SCHEMBL254959 0.92 APP (0.61) APPRARBRARGMAPTTSHR
SCHEMBL2679567 0.89 TSHR (0.60) RARBRARGTSHRTP53PTPN11
SCHEMBL19262699 0.84 PARP10 (0.55) APPMAPTTSHRCYP3A4CA1
SCHEMBL402852 0.83 TSHR (0.54) APPRARBRARGTSHRTP53
Aminobenzoic Acid SCHEMBL8249 0.82 TSHR (0.71) MAPTTSHRTP53SRD5A2CA1
Terephthalic Acid SCHEMBL7648718 0.82 TSHR (0.71) MAPTTSHRTP53SRD5A2CA1
Terephthalic Acid SCHEMBL9717815 0.82 TSHR (0.71) MAPTTSHRTP53SRD5A2CA1
Aminobenzoic Acid SCHEMBL1768920 0.82 TSHR (0.71) MAPTTSHRTP53SRD5A2CA1
Aminobenzoic Acid SCHEMBL25326411 0.80 TSHR (0.67) MAPTTSHRTP53SRD5A2CA1
Aminobenzoic Acid SCHEMBL11038536 0.80 TSHR (0.67) MAPTTSHRTP53SRD5A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425447-A1 BENZOYLGLYCINE DERIVATIVES AND METHODS OF MAKING AND USING SAME UNIV DUKE (US) 2024-12-26 US disclosed
US-12103904-B2 Benzoylglycine derivatives and methods of making and using same DUKE UNIVERSITY (US) 2024-10-01 US disclosed
EP-4286001-A2 BENZOYLGLYCINE DERIVATIVES AND METHODS OF MAKING AND USING SAME Duke University (US) 2023-12-06 EP disclosed
EP-3448375-B1 BENZOYLGLYCINE DERIVATIVES AND METHODS OF MAKING AND USING SAME UNIV DUKE (US) 2023-09-27 EP disclosed
EP-3374350-B1 HYDROXYPYRIDINONE AND HYDROXYPYRIMIDINONE BASED COMPOUNDS FOR TREATING BACTERIAL INFECTIONS FORGE THERAPEUTICS INC (US) 2022-01-05 EP disclosed
EP-3374350-B1 HYDROXYPYRIDINONE AND HYDROXYPYRIMIDINONE BASED COMPOUNDS FOR TREATING BACTERIAL INFECTIONS FORGE THERAPEUTICS INC (US) 2022-01-05 EP disclosed
US-20210206715-A1 Benzoylglycine Derivatives and Methods of Making and Using Same DUKE UNIVERSITY (US) 2021-07-08 US disclosed
US-20210206715-A1 Benzoylglycine Derivatives and Methods of Making and Using Same DUKE UNIVERSITY (US) 2021-07-08 US disclosed
US-11034649-B2 Benzoylglycine derivatives and methods of making and using same DUKE UNIVERSITY (US) 2021-06-15 US disclosed
US-11034649-B2 Benzoylglycine derivatives and methods of making and using same DUKE UNIVERSITY (US) 2021-06-15 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 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 (8 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS APP 4303/4885RARB 1893/4885RARG 2443/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 APP 3766/4885RARB 2971/4885RARG 3549/4885
US-20210206715-A1 Benzoylglycine Derivatives and Methods of Making and Using Same B3GAT3, GLO1, GLMN APP 4521/4885RARB 3367/4885RARG 1927/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS APP 4303/4885RARB 1893/4885RARG 2443/4885
US-11034649-B2 Benzoylglycine derivatives and methods of making and using same B3GAT3, GLO1, GLMN APP 4521/4885RARB 3367/4885RARG 1927/4885
US-20240425447-A1 BENZOYLGLYCINE DERIVATIVES AND METHODS OF MAKING AND USING SAME BPGM, B3GAT3, GLMN APP 4572/4885RARB 3899/4885RARG 2717/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS APP 4303/4885RARB 1893/4885RARG 2443/4885
US-12103904-B2 Benzoylglycine derivatives and methods of making and using same B3GAT3, GLO1, GLMN APP 4521/4885RARB 3367/4885RARG 1927/4885

“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.