SCHEMBL2569630

SCHEMBL2569630

O=C(CCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1)NC1CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.47
TP53 P04637 5/20 0.43
LMNA P02545 4/20 0.42
THRB P10828 1/20 0.38
TLR4 O00206 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
PPARG P37231 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PNP P00491 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.35
CD38 P28907 1/20 0.35

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
SCHEMBL2564109 0.89 FADS1 (0.50) FADS1TP53LMNAMAPTMEN1
SCHEMBL2563678 0.88 FADS1 (0.53) FADS1TP53LMNAMAPTMEN1
SCHEMBL2565491 0.86 FADS1 (0.53) FADS1TP53LMNAMAPTMEN1
SCHEMBL13258367 0.86 LMNA (0.42) TP53LMNATHRBTLR4RAB9A
SCHEMBL2568063 0.86 FADS1 (0.49) FADS1TP53LMNAMAPTPPARG
SCHEMBL2575941 0.86 FADS1 (0.51) FADS1TP53LMNAMAPTPPARG
SCHEMBL2566034 0.85 FADS1 (0.45) FADS1TP53LMNAMAPTRAB9A
SCHEMBL2565560 0.85 FADS1 (0.50) FADS1TP53LMNAMAPTMEN1
SCHEMBL2574326 0.85 FADS1 (0.48) FADS1TP53LMNAMAPTMEN1
SCHEMBL2561227 0.84 FADS1 (0.43) FADS1TP53LMNAMAPTPPARG

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 5 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
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 140/4885TP53 836/4885LMNA 4027/4885

“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.