Sugi Predict

Sugi Predict / Compounds / SCHEMBL4498846

SCHEMBL4498846

SCHEMBL4498846

CC(C)(C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 12/20 0.62
▸ P2RX1 P51575 9/20 0.62
▸ P2RX7 Q99572 7/20 0.62
▸ P2RX4 Q99571 6/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ IKBKB O14920 1/20 0.62
▸ CHUK O15111 1/20 0.62
▸ KDR P35968 1/20 0.62
▸ FLT3 P36888 1/20 0.62
▸ MYLK Q15746 1/20 0.62
▸ MAP4K5 Q9Y4K4 1/20 0.62
▸ CYP1A2 P05177 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ TLR8 Q9NR97 1/20 0.52
▸ SLC2A1 P11166 1/20 0.50
▸ XPO1 O14980 1/20 0.48

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
SCHEMBL130511 0.88 TMPRSS4 (0.65) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL3497425 0.87 TMPRSS4 (0.64) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL16707260 0.86 TMPRSS4 (0.60) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL16709939 0.85 TMPRSS4 (0.68) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL28870474 0.83 P2RX1 (0.68) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL16702757 0.82 P2RX1 (0.67) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL19645367 0.82 P2RX1 (0.67) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL16707257 0.82 TMPRSS4 (0.60) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL20243931 0.81 TMPRSS4 (0.62) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL6103412 0.81 TMPRSS4 (0.54) TMPRSS4P2RX1P2RX7P2RX4MEN1

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 TMPRSS4 4278/4885P2RX1 2507/4885P2RX7 2251/4885

“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.