SCHEMBL3497252

SCHEMBL3497252

O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Br)ccc1OP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.57
MAPT P10636 4/20 0.53
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 3/20 0.47
CYP2D6 P10635 2/20 0.47
POLB P06746 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
TMPRSS4 Q9NRS4 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KCNH2 Q12809 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
SCHEMBL3496754 0.89 TRPV1 (0.59) TRPV1MAPTTSHRSMN1; SMN2CYP3A4
SCHEMBL6099647 0.88 TMPRSS4 (0.50) TRPV1MAPTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL17845905 0.83 SMN1; SMN2 (0.52) MAPTSMN1; SMN2CYP3A4CYP2C19CYP1A2
SCHEMBL3499940 0.83 TRPV1 (0.53) TRPV1MAPTTSHRSMN1; SMN2CYP3A4
SCHEMBL330058 0.82 TMPRSS4 (0.67) TRPV1MAPTTSHRSMN1; SMN2CYP3A4
SCHEMBL6101867 0.79 TMPRSS4 (0.68) TRPV1MAPTCYP3A4CYP2C19CYP1A2
SCHEMBL6103190 0.78 POLB (0.52) TRPV1MAPTTSHRSMN1; SMN2CYP3A4
SCHEMBL3499720 0.77 TMPRSS4 (0.54) MAPTSMN1; SMN2CYP3A4CYP2C19CYP1A2
SCHEMBL330635 0.76 TRPV1 (0.59) TRPV1MAPTTSHRSMN1; SMN2CYP3A4
SCHEMBL17845904 0.75 SMN1; SMN2 (0.53) MAPTSMN1; SMN2CYP3A4CYP2C19CYP1A2

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-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
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 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-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 TRPV1 1623/4885MAPT 3363/4885TSHR 3094/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 TRPV1 2411/4885MAPT 4188/4885TSHR 3471/4885

“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.