SCHEMBL2561536

SCHEMBL2561536

O=C1Cc2c(nc(SCC3CC3)n(-c3ccc(OCC(F)(F)C(F)(F)F)cc3)c2=O)N1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.37
FADS1 O60427 1/20 0.34
TSHR P16473 2/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
GAA P10253 1/20 0.33
VCP P55072 1/20 0.32
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 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
SCHEMBL2558405 0.93 FADS1 (0.40) PDE7AFADS1TSHRGAAVCP
SCHEMBL2567364 0.89 PDE7A (0.41) PDE7AFADS1TSHRGAAVCP
SCHEMBL2567059 0.88 FADS1 (0.37) PDE7AFADS1TSHRMMP13MMP14
SCHEMBL2563696 0.88 TSHR (0.43) PDE7AFADS1TSHRGAAKMT2A
SCHEMBL2563812 0.86 TSHR (0.45) PDE7AFADS1TSHRGAAKMT2A
SCHEMBL2561190 0.86 ALDH1A1 (0.41) FADS1TSHRMMP13MMP14GAA
SCHEMBL2568118 0.85 FADS1 (0.43) FADS1TSHRGAAKMT2A
SCHEMBL2997256 0.84 TP53 (0.41) PDE7AFADS1TSHRGAAKMT2A
SCHEMBL2563809 0.84 TSHR (0.44) FADS1TSHRMMP13MMP14GAA
SCHEMBL2998907 0.82 TSHR (0.39) FADS1TSHRMMP13MMP14GAA

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 PDE7A 2399/4885FADS1 140/4885TSHR 4543/4885

“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.