SCHEMBL2567059

SCHEMBL2567059

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.37
TSHR P16473 3/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
PDE7A Q13946 1/20 0.30
PDE7B Q9NP56 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL2566730 0.93 FADS1 (0.42) FADS1TSHRGAAKMT2ATP53
SCHEMBL2563696 0.91 TSHR (0.43) FADS1TSHRGAAKMT2ATP53
SCHEMBL2563812 0.89 TSHR (0.45) FADS1TSHRGAAKMT2ATP53
SCHEMBL13266440 0.89 TSHR (0.35) FADS1TSHRGAAKMT2ATP53
SCHEMBL2561190 0.89 ALDH1A1 (0.41) FADS1TSHRGAAKMT2ALMNA
SCHEMBL2561536 0.88 PDE7A (0.37) FADS1TSHRGAAKMT2ATP53
SCHEMBL13242295 0.87 TSHR (0.34) FADS1TSHRGAAKMT2ATP53
SCHEMBL2561188 0.87 FADS1 (0.42) FADS1TSHRGAAKMT2ATP53
SCHEMBL2997256 0.87 TP53 (0.41) FADS1TSHRGAAKMT2ATP53
SCHEMBL2563809 0.86 TSHR (0.44) FADS1TSHRGAAKMT2AALDH1A1

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 FADS1 140/4885TSHR 4543/4885GAA 3631/4885

“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.