SCHEMBL240792

SCHEMBL240792

NC1(C(=O)O)Cc2ccc(Br)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.41
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HSD17B3 P37058 1/20 0.36
CES2 O00748 1/20 0.36
GALR3 O60755 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM4 Q14833 2/20 0.36
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL30758541 1.00 TDP2 (0.41) TDP2SRD5A1SRD5A2SLC1A3SLC1A2
SCHEMBL16605573 0.87 KDM4E (0.40) TDP2SRD5A1SRD5A2SLC1A3SLC1A2
SCHEMBL16605597 0.87 HSD17B3 (0.42) TDP2SRD5A1SRD5A2SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL3305039 0.85 HSD17B3 (0.41) TDP2SRD5A1SRD5A2SLC1A3SLC1A2
SCHEMBL7277003 0.81 HSD17B1 (0.42) KDM4ECYP1A2GRM4POLBMAPT
SCHEMBL19586030 0.81 SRD5A1 (0.42) TDP2SRD5A1SRD5A2SLC1A3SLC1A2
SCHEMBL30758533 0.80 MAPT (0.39) TDP2SRD5A1SRD5A2KDM4EHSD17B3
SCHEMBL7429811 0.80 MAPT (0.40) KDM4ECYP2C9HPGDALOX15CASP1
Hydrochloric Acid SCHEMBL3497852 0.79 MAPT (0.38) TDP2KDM4EHSD17B3DPP8DPP9
SCHEMBL7271740 0.79 CXCR5 (0.41) SRD5A1SRD5A2SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4361159-A1 BORONO-PHENYLALANINE DERIVATIVE Stella Pharma Corporation (JP) 2024-05-01 EP disclosed
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
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 CN 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
CN-101679346-A substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI AVENTIS 2010-03-24 CN disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP 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 TDP2 3808/4885SRD5A1 2498/4885SRD5A2 3257/4885

“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.