SCHEMBL5066868

SCHEMBL5066868

O=C(Nc1ccc(C(F)(F)F)cc1C(F)(F)F)c1cc(Cl)ccc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 14/20 0.81
P2RX1 P51575 4/20 0.68
P2RX4 Q99571 3/20 0.68
P2RX7 Q99572 3/20 0.68
MEN1 O00255 1/20 0.64
IKBKB O14920 1/20 0.64
CHUK O15111 1/20 0.64
KDR P35968 1/20 0.64
FLT3 P36888 1/20 0.64
KMT2A Q03164 1/20 0.64
MYLK Q15746 1/20 0.64
MAP4K5 Q9Y4K4 1/20 0.64
SLC2A1 P11166 1/20 0.64
RAB9A P51151 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
KDM4E B2RXH2 1/20 0.60
KCNMA1 Q12791 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.57

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
SCHEMBL4264823 0.92 TMPRSS4 (0.72) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330413 0.90 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL30100391 0.88 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL18341401 0.88 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL18341193 0.87 TMPRSS4 (0.85) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330166 0.87 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL14886093 0.86 TMPRSS4 (0.76) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL18341191 0.86 TMPRSS4 (0.75) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330023 0.86 TMPRSS4 (0.83) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL329995 0.84 TMPRSS4 (0.73) TMPRSS4P2RX1P2RX4P2RX7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20060089395-A1 Nf-kb activation inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-04-27 US disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA TMPRSS4 2764/4885P2RX1 4560/4885P2RX4 4767/4885
US-20060089395-A1 Nf-kb activation inhibitors NFKBIA, IKBKB, NFRKB TMPRSS4 4204/4885P2RX1 4732/4885P2RX4 4831/4885

“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.