SCHEMBL626862

SCHEMBL626862

CCCCCCC(CCC)C(CCCCC)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.53
FFAR1 O14842 2/20 0.53
MAPT P10636 1/20 0.52
LCK P06239 1/20 0.52
PPARD Q03181 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
ACE2 Q9BYF1 1/20 0.48
CA2 P00918 1/20 0.46
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42

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
SCHEMBL2373767 1.00 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL4587471 1.00 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL626770 0.98 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL6245878 0.96 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL17685264 0.96 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL268638 0.96 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL9770059 0.96 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL62996 0.96 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL16816949 0.96 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL14695713 0.96 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071325-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND METHODS OF MAKING THE SAME MELINTA SUBSIDIARY CORP. 2018-03-15 US disclosed
EP-2603514-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
WO-2012021455-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-02-16 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 (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-20180071325-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND METHODS OF MAKING THE SAME BCL6B, BCL6, BCR GPR84 3546/4885FFAR1 1279/4885MAPT 4464/4885

“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.