SCHEMBL3498205

SCHEMBL3498205

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1OC(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 5/20 0.55
P2RX1 P51575 4/20 0.55
P2RX4 Q99571 4/20 0.55
P2RX7 Q99572 4/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
MYLK Q15746 1/20 0.52
MAP4K5 Q9Y4K4 1/20 0.52
HSD17B10 Q99714 1/20 0.46
XPO1 O14980 1/20 0.45
TLR8 Q9NR97 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL13698751 0.92 TMPRSS4 (0.55) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL6101665 0.85 GAA (0.50) TMPRSS4P2RX1P2RX4P2RX7HSD17B10
SCHEMBL3498004 0.84 KMT2A (0.52) P2RX1P2RX4P2RX7MEN1KMT2A
SCHEMBL3496734 0.83 TMPRSS4 (0.56) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL6102602 0.82 TMPRSS4 (0.50) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL6102407 0.81 RAB9A (0.50) TMPRSS4P2RX1POLBRAB9ASMN1; SMN2
SCHEMBL3498301 0.80 EPHX1 (0.49) P2RX1P2RX4P2RX7KMT2AALDH1A1
SCHEMBL4498909 0.80 POLB (0.53) TMPRSS4KMT2AHSD17B10ALDH1A1POLB
SCHEMBL6101008 0.79 POLB (0.54) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL19612142 0.78 TP53 (0.48) TMPRSS4KMT2AHSD17B10ALDH1A1POLB

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
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
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 (2 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 TMPRSS4 4278/4885P2RX1 2507/4885P2RX4 3900/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 TMPRSS4 3984/4885P2RX1 3644/4885P2RX4 4206/4885

“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.