SCHEMBL2566034

SCHEMBL2566034

O=C(CCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1)N1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.45
KMT2A Q03164 3/20 0.41
TP53 P04637 5/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LIPE Q05469 4/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL2566902 0.96 FADS1 (0.43) FADS1KMT2ATP53ALDH1A1GAA
SCHEMBL2577032 0.93 FADS1 (0.46) FADS1KMT2ATP53ALDH1A1GAA
SCHEMBL2578024 0.92 FADS1 (0.46) FADS1KMT2ATP53ALDH1A1GAA
SCHEMBL2576300 0.91 FADS1 (0.46) FADS1KMT2ATP53ALDH1A1GAA
SCHEMBL2567091 0.91 FADS1 (0.45) FADS1KMT2ATP53ALDH1A1MEN1
SCHEMBL2991224 0.90 FADS1 (0.44) FADS1KMT2ATP53ALDH1A1GAA
SCHEMBL2991221 0.90 FADS1 (0.44) FADS1KMT2ATP53ALDH1A1GAA
SCHEMBL2573160 0.89 FADS1 (0.45) FADS1KMT2ATP53ALDH1A1GAA
SCHEMBL2564109 0.86 FADS1 (0.50) FADS1KMT2ATP53ALDH1A1MEN1
SCHEMBL2565491 0.85 FADS1 (0.53) FADS1KMT2ATP53ALDH1A1GAA

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 140/4885KMT2A 2107/4885TP53 836/4885

“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.