SCHEMBL18286353

SCHEMBL18286353

CCCCCCCCCCCC1=C(O)C(=O)C(Cl)=C(O)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.58
MPEG1 Q2M385 11/20 0.58
XIAP P98170 2/20 0.58
GPR84 Q9NQS5 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
PTGES O14684 1/20 0.58
USP2 O75604 1/20 0.58
TP53 P04637 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL7365320 0.85 ALOX5 (0.65) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL29911486 0.83 ALOX5 (0.64) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL14507682 0.81 ALOX5 (0.62) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL5554107 0.78 ALOX5 (0.58) ALOX5MPEG1XIAPGPR84ALDH1A1
Rapanone SCHEMBL2311835 0.74 ALOX5 (1.00) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL12757276 0.74 ALOX5 (1.00) ALOX5MPEG1XIAPGPR84ALDH1A1
Embelin SCHEMBL148744 0.74 ALOX5 (1.00) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL5671789 0.73 ALDH1A1 (0.44) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL17123718 0.72 ALOX5 (0.73) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL3273093 0.72 ALOX5 (0.55) ALOX5MPEG1XIAPGPR84ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858358-B2 S1PR2 antagonists and uses therefor DALHOUSIE UNIVERSITY (CA) 2020-12-08 US disclosed
US-20200347058-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2020-11-05 US disclosed
US-10487082-B2 S1PR2 antagonists and uses therefor DALHOUSIE UNIVERSITY (CA) 2019-11-26 US disclosed
US-20190169187-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2019-06-06 US disclosed
US-20190127372-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2019-05-02 US disclosed
US-20180141942-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2018-05-24 US disclosed
EP-3298014-A1 S1PR2 ANTAGONISTS AND USES THEREFOR Dalhousie University (CA) 2018-03-28 EP disclosed
WO-2016191872-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2016-12-08 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 (6 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-10858358-B2 S1PR2 antagonists and uses therefor S1PR2, S1PR4, S1PR1 ALOX5 1278/4885MPEG1 1108/4885XIAP 2853/4885
US-20190127372-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR1 ALOX5 1193/4885MPEG1 2296/4885XIAP 2533/4885
US-20190169187-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR3 ALOX5 965/4885MPEG1 973/4885XIAP 2876/4885
US-20200347058-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR1 ALOX5 1193/4885MPEG1 2296/4885XIAP 2533/4885
US-20180141942-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR1 ALOX5 1193/4885MPEG1 2296/4885XIAP 2533/4885
US-10487082-B2 S1PR2 antagonists and uses therefor S1PR2, S1PR4, S1PR3 ALOX5 965/4885MPEG1 973/4885XIAP 2876/4885

“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.