SCHEMBL2993770

SCHEMBL2993770

CCOCCOCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(COCC(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
TNF P01375 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 2/20 0.32
PDE7A Q13946 2/20 0.31
TSHR P16473 1/20 0.31
CXCR3 P49682 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PDE7B Q9NP56 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL2565109 0.89 FADS1 (0.47) FADS1MEN1KMT2AALDH1A1TP53
SCHEMBL2567552 0.87 FADS1 (0.49) FADS1MEN1KMT2AALDH1A1TP53
SCHEMBL13258405 0.85 PDE7A (0.38) MEN1KMT2AALDH1A1HTTTNF
SCHEMBL2564737 0.84 FADS1 (0.36) FADS1ALDH1A1HTTTNFSMN1; SMN2
SCHEMBL2566441 0.82 FADS1 (0.47) FADS1MEN1KMT2AALDH1A1TP53
SCHEMBL3003982 0.79 TSHR (0.39) FADS1MEN1KMT2AALDH1A1TP53
SCHEMBL13257579 0.78 PDE7A (0.38) MEN1KMT2AALDH1A1HTTTNF
SCHEMBL2990546 0.78 TSHR (0.40) FADS1MEN1KMT2AALDH1A1TP53
SCHEMBL2568025 0.78 FADS1 (0.47) FADS1MEN1KMT2AALDH1A1TP53
SCHEMBL2562601 0.77 FADS1 (0.51) FADS1MEN1KMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 140/4885MEN1 2857/4885KMT2A 2107/4885

“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.