SCHEMBL1508394

SCHEMBL1508394

CCOC(=O)COc1c(C(=O)OC)cccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 2/20 0.45
CTSS P25774 1/20 0.44
MAPT P10636 2/20 0.43
NLRP3 Q96P20 4/20 0.42
GLA P06280 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
ABCB1 P08183 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
EPHX2 P34913 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL20509572 0.83 NLRP3 (0.50) KDM4EALDH1A1MAPTNLRP3ABCB1
SCHEMBL23817448 0.82 CTSS (0.47) KDM4EALDH1A1CTSSMAPTKCNK3
SCHEMBL22442126 0.81 ALDH1A1 (0.46) KDM4EALDH1A1MAPTNLRP3ABCB1
SCHEMBL28731717 0.81 NLRP3 (0.52) KDM4EALDH1A1MAPTNLRP3ABCB1
SCHEMBL4119115 0.78 CTSS (0.56) KDM4EALDH1A1CTSSTAS2R14LMNA
SCHEMBL29860136 0.77 ALDH1A1 (0.43) KDM4EALDH1A1MAPTGLAKMT2A
SCHEMBL11619772 0.77 KDM4E (0.47) KDM4EALDH1A1MAPTNLRP3KCNK3
SCHEMBL7897849 0.74 ABCB1 (0.61) KDM4EALDH1A1MAPTABCB1LMNA
SCHEMBL2170548 0.74 USP2 (0.55) KDM4EALDH1A1MAPTGLAABCB1
SCHEMBL27803203 0.74 CTSS (0.44) KDM4EALDH1A1CTSSTAS2R14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 KDM4E 4326/4885ALDH1A1 195/4885CTSS 2778/4885

“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.