SCHEMBL3499720

SCHEMBL3499720

COc1cc(NC(=O)c2cc(Br)ccc2OP(=O)(O)O)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 4/20 0.54
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
P2RX1 P51575 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
LRRK2 Q5S007 1/20 0.46
STAT3 P40763 1/20 0.46
SCN8A Q9UQD0 2/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 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
SCHEMBL134080 0.84 TMPRSS4 (0.77) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17845905 0.83 SMN1; SMN2 (0.52) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6103242 0.83 LRRK2 (0.57) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3496634 0.81 ALDH1A1 (0.52) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6101727 0.79 KMT2A (0.48) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16712662 0.79 P2RX1 (0.65) TMPRSS4P2RX1SCN8ASCN10AKMT2A
SCHEMBL3498496 0.78 P2RX1 (0.48) TMPRSS4P2RX1KMT2AMEN1TLR8
SCHEMBL16707252 0.78 TMPRSS4 (0.67) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17759324 0.77 P2RX1 (0.63) TMPRSS4CYP1A2CYP2C19P2RX1MAPT
SCHEMBL6102085 0.77 P2RX1 (0.65) TMPRSS4CYP1A2CYP2C9CYP2C19P2RX1

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
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
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 TMPRSS4 4278/4885ALDH1A1 535/4885CYP1A2 1128/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 TMPRSS4 3984/4885ALDH1A1 366/4885CYP1A2 855/4885

“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.