SCHEMBL2527740

SCHEMBL2527740

CC(C)(C)CC(=O)CCCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.42
FFAR1 O14842 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
PLA2G4A P47712 1/20 0.31
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 1/20 0.31
CPT2 P23786 1/20 0.30

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
SCHEMBL2528979 0.93 GPR84 (0.42) CAMK2AFFAR1GPR84FFAR4KDM4E
SCHEMBL2526451 0.91 FFAR1 (0.46) CAMK2AFFAR1GPR84FFAR4KDM4E
SCHEMBL2529087 0.91 FFAR1 (0.46) CAMK2AFFAR1GPR84FFAR4KDM4E
SCHEMBL2529497 0.84 HMGCR (0.32)
SCHEMBL8897340 0.80 FFAR1 (0.34) FFAR1TDP1PLA2G4ACPT2
SCHEMBL12425764 0.80 CES1 (0.48) GPR84TDP1PLA2G4A
SCHEMBL2527737 0.80 PLA2G4A (0.31) FFAR1TDP1PLA2G4ACPT2
SCHEMBL28887792 0.79 CAMK2A (0.37) CAMK2AFFAR1GPR84FFAR4
SCHEMBL2530657 0.78
SCHEMBL25036566 0.78 CYP1A2 (0.44) KDM4EPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
EP-1385870-B1 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2010-03-17 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 (2 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-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B CAMK2A 1007/4885FFAR1 4344/4885GPR84 3615/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B CAMK2A 1007/4885FFAR1 4344/4885GPR84 3615/4885

“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.