SCHEMBL4498909

SCHEMBL4498909

O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TRPV1 Q8NER1 1/20 0.50
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TMPRSS4 Q9NRS4 2/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
TP53 P04637 1/20 0.46
CHRNA7 P36544 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNK3 O14649 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL19612142 0.93 TP53 (0.48) POLBL3MBTL1KDM4EGAATMPRSS4
SCHEMBL6103190 0.92 POLB (0.52) POLBL3MBTL1TRPV1KDM4EGAA
SCHEMBL3496921 0.92 TMPRSS4 (0.58) POLBL3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL13698751 0.87 TMPRSS4 (0.55) POLBKDM4EGAASMN1; SMN2TMPRSS4
SCHEMBL6099753 0.86 MAPT (0.56) POLBL3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL6101632 0.84 MAPT (0.53) POLBL3MBTL1KDM4EGAATSHR
SCHEMBL6101665 0.82 GAA (0.50) KDM4EGAASMN1; SMN2TMPRSS4ALDH1A1
SCHEMBL3497360 0.81 GAA (0.48) POLBL3MBTL1KDM4EGAATSHR
SCHEMBL31079436 0.81 GAA (0.48) POLBL3MBTL1KDM4EGAATSHR
SCHEMBL19612090 0.81 LRRK2 (0.59) POLBKDM4EGAAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA POLB 2254/4885L3MBTL1 1394/4885TRPV1 1623/4885

“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.