SCHEMBL6099647

SCHEMBL6099647

O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Br)ccc1OP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 3/20 0.50
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ RXFP1 Q9HBX9 3/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ XPO1 O14980 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL3497252 0.88 TRPV1 (0.57) TMPRSS4KDM4EHPGDNPSR1CYP1A2
SCHEMBL6101867 0.87 TMPRSS4 (0.68) TMPRSS4KDM4EHPGDCYP1A2CYP3A4
SCHEMBL17845905 0.84 SMN1; SMN2 (0.52) TMPRSS4KDM4EHPGDNPSR1CYP1A2
SCHEMBL4490708 0.82 RXFP1 (0.46) TMPRSS4KDM4EHPGDRXFP1HDAC1
SCHEMBL331595 0.81 TMPRSS4 (0.73) TMPRSS4RXFP1HDAC1HDAC8HDAC6
SCHEMBL29367614 0.81 TMPRSS4 (0.73) TMPRSS4RXFP1HDAC1HDAC8HDAC6
SCHEMBL3497360 0.78 GAA (0.48) TMPRSS4KDM4EHPGDNPSR1XPO1
SCHEMBL31079436 0.78 GAA (0.48) TMPRSS4KDM4EHPGDNPSR1XPO1
SCHEMBL3496754 0.76 TRPV1 (0.59) TMPRSS4KDM4EHPGDCYP1A2CYP3A4
SCHEMBL3497444 0.75 MEN1 (0.65) TMPRSS4NPSR1CYP1A2CYP2C9RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4278/4885KDM4E 1885/4885HPGD 1463/4885

“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.

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