SCHEMBL4640294

SCHEMBL4640294

O=C(O)CCc1cccc(-c2ccco2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.56
PRMT6 Q96LA8 1/20 0.54
FFAR1 O14842 9/20 0.52
GPR17 Q13304 1/20 0.52
PPARD Q03181 1/20 0.49
LIPG Q9Y5X9 1/20 0.49
PTPRB P23467 1/20 0.48
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48
PTEN P60484 1/20 0.48
PTPMT1 Q8WUK0 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FFAR4 Q5NUL3 2/20 0.47

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
SCHEMBL5664152 0.84 KEAP1 (0.59) KEAP1PRMT6PPARDHPGDTSHR
SCHEMBL12302785 0.83 PRMT6 (0.59) KEAP1PRMT6FFAR1PPARDKDM4E
SCHEMBL10242910 0.81 PRMT6 (0.53) KEAP1PRMT6FFAR1KDM4EMEN1
SCHEMBL4137181 0.81 PRMT6 (0.50) KEAP1PRMT6KDM4EHPGD
SCHEMBL1346211 0.81 PRMT6 (0.59) KEAP1PRMT6KDM4E
SCHEMBL12303899 0.79 PRMT6 (0.51) KEAP1PRMT6KDM4EMEN1HPGD
SCHEMBL29381971 0.79 FFAR1 (0.69) KEAP1FFAR1LIPGPTPRBCDC25A
SCHEMBL7347912 0.79 FFAR1 (0.69) KEAP1FFAR1LIPGPTPRBCDC25A
SCHEMBL10245034 0.78 PRMT6 (0.64) KEAP1PRMT6KDM4E
SCHEMBL1347949 0.78 PRMT6 (0.59) KEAP1PRMT6FFAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20080255167-A1 Novel 2-Aminopyrimidine or 2-Aminiopyridinone Derivatives and Their Use ASTEX THERAPEUTICS LTD. (GB) 2008-10-16 US disclosed
US-20080255167-A1 Novel 2-Aminopyrimidine or 2-Aminiopyridinone Derivatives and Their Use ASTEX THERAPEUTICS LTD. (GB) 2008-10-16 US disclosed
US-20080255167-A1 Novel 2-Aminopyrimidine or 2-Aminiopyridinone Derivatives and Their Use ASTEX THERAPEUTICS LTD. (GB) 2008-10-16 US disclosed
EP-1951681-A1 NOVEL 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR USE Astra Zeneca AB (SE) 2008-08-06 EP disclosed
WO-2007058581-A1 NOVEL 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO disclosed
WO-2007058581-A1 NOVEL 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO 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 (3 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 KEAP1 659/4885PRMT6 553/4885FFAR1 1823/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 KEAP1 1507/4885PRMT6 1140/4885FFAR1 2307/4885
US-20080255167-A1 Novel 2-Aminopyrimidine or 2-Aminiopyridinone Derivatives and Their Use PSEN2, PSEN1, MAPT KEAP1 493/4885PRMT6 103/4885FFAR1 3165/4885

“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.