SCHEMBL2564549

SCHEMBL2564549

O=C1Cc2c(nc(OC3CCOCC3)n(-c3ccc(OCC(F)(F)F)cc3)c2=O)N1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
LIPE Q05469 8/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ACACB O00763 2/20 0.33
FADS1 O60427 1/20 0.33
ABL1 P00519 1/20 0.33
CXCR3 P49682 1/20 0.32
STING1 Q86WV6 1/20 0.32
LCAT P04180 1/20 0.31
LRRK2 Q5S007 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL2567084 0.92 MMP13 (0.36) MMP13MMP14LIPEACACBFADS1
SCHEMBL2564954 0.86 FADS1 (0.37) LIPEFADS1KCNH2
SCHEMBL2567198 0.83 LIPE (0.35) MMP13MMP14LIPEFADS1
SCHEMBL2566961 0.83 HPGD (0.36) LIPEFADS1KCNH2
SCHEMBL2568067 0.82 FADS1 (0.37) LIPEFADS1LCATKCNH2
SCHEMBL2564400 0.81 FADS1 (0.35) MMP13MMP14LIPEFADS1STING1
SCHEMBL2564033 0.81 FADS1 (0.35) LIPEFADS1KCNH2
SCHEMBL2567218 0.81 UGCG (0.37) LIPEFADS1KCNH2
SCHEMBL2564084 0.81 FADS1 (0.35) MMP13MMP14LIPEFADS1STING1
SCHEMBL2567232 0.81 KCNH2 (0.37) LIPEFADS1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES MMP13 127/4885MMP14 219/4885TRPV4 240/4885

“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.