SCHEMBL2995705

SCHEMBL2995705

O=c1c2[nH]ccc2nc(SCC(O)COC2CCOCC2)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.39
TP53 P04637 7/20 0.34
LIPE Q05469 2/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
PIK3CA P42336 1/20 0.33
ACACB O00763 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
CXCR3 P49682 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 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
SCHEMBL2580259 0.88 FADS1 (0.40) FADS1TP53LIPEPIK3CDPIK3CB
SCHEMBL2998780 0.87 FADS1 (0.43) FADS1TP53LIPEPIK3CDPIK3CB
SCHEMBL2563076 0.85 FADS1 (0.42) FADS1TP53LIPEPIK3CDPIK3CB
SCHEMBL2566533 0.84 FADS1 (0.44) FADS1TP53LIPEPIK3CDPIK3CB
SCHEMBL2566536 0.83 FADS1 (0.43) FADS1TP53LIPEPIK3CDPIK3CB
SCHEMBL2567315 0.79 FADS1 (0.44) FADS1TP53PIK3CDPIK3CBPIK3CG
SCHEMBL3004175 0.78 FADS1 (0.44) FADS1TP53KMT2AMEN1LMNA
SCHEMBL2567416 0.78 FADS1 (0.47) FADS1TP53PIK3CDPIK3CBPIK3CG
SCHEMBL2559985 0.77 FADS1 (0.51) FADS1TP53PIK3CDPIK3CBPIK3CG
SCHEMBL2561473 0.77 FADS1 (0.49) FADS1TP53PIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 836/4885LIPE 1326/4885

“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.