SCHEMBL3497642

SCHEMBL3497642

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.57
P2RX1 P51575 7/20 0.54
TMPRSS4 Q9NRS4 6/20 0.54
P2RX7 Q99572 6/20 0.54
P2RX4 Q99571 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
IKBKB O14920 1/20 0.54
CHUK O15111 1/20 0.54
KDR P35968 1/20 0.54
FLT3 P36888 1/20 0.54
MYLK Q15746 1/20 0.54
MAP4K5 Q9Y4K4 1/20 0.54
HSPH1 Q92598 1/20 0.49
TLR8 Q9NR97 1/20 0.48
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL16707259 0.95 LRRK2 (0.55) LRRK2P2RX1TMPRSS4P2RX7P2RX4
SCHEMBL20280065 0.94 LRRK2 (0.53) LRRK2P2RX1TMPRSS4P2RX7P2RX4
SCHEMBL17858986 0.92 LRRK2 (0.60) LRRK2P2RX1TMPRSS4P2RX7P2RX4
SCHEMBL3497966 0.88 LRRK2 (0.55) LRRK2TMPRSS4MEN1KMT2AHSPH1
SCHEMBL6101699 0.87 LRRK2 (0.52) LRRK2P2RX1P2RX7P2RX4CYP1A2
SCHEMBL14886070 0.87 LRRK2 (0.74) LRRK2P2RX1TMPRSS4P2RX7P2RX4
SCHEMBL17858984 0.87 LRRK2 (0.55) LRRK2P2RX1TMPRSS4MEN1KMT2A
SCHEMBL16702757 0.86 P2RX1 (0.67) P2RX1TMPRSS4P2RX7P2RX4MEN1
SCHEMBL3498785 0.85 TMPRSS4 (0.57) LRRK2TMPRSS4HSPH1CYP1A2CYP2C19
SCHEMBL19862002 0.83 P2RX1 (0.62) P2RX1TMPRSS4P2RX7P2RX4MEN1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AEROMICS, INC. (US) 2024-01-16 US disclosed
US-20220143048-A1 NOVEL PRODRUG SALTS AEROMICS, INC. 2022-05-12 US disclosed
US-11084778-B2 Methods of treating cardiac edema, neuromyelitis optica, and hyponatremia AEROMICS, INC. (US) 2021-08-10 US disclosed
US-11071744-B2 Prodrug salts AEROMICS, INC. (US) 2021-07-27 US disclosed
US-20200297740-A1 NOVEL PRODRUG SALTS AEROMICS, INC. (US) 2020-09-24 US disclosed
EP-3065727-B1 NOVEL PRODRUG SALTS AEROMICS INC (US) 2020-08-26 EP disclosed
US-10258636-B2 Prodrug salts AEROMICS, INC. (US) 2019-04-16 US disclosed
US-20180169118-A1 NOVEL PRODRUG SALTS AEROMICS, INC. (US) 2018-06-21 US disclosed
US-9994514-B2 Methods of treating cerebral edema and spinal cord edema AEROMICS, INC. (US) 2018-06-12 US disclosed
US-9949991-B2 Methods of treating aquaporin-mediated conditions AEROMICS, INC. (US) 2018-04-24 US disclosed
US-20160264604-A1 NOVEL PRODRUG SALTS AEROMICS, INC. (US) 2016-09-15 US disclosed
US-20160264604-A1 NOVEL PRODRUG SALTS AEROMICS, INC. (US) 2016-09-15 US disclosed
US-20150342967-A1 METHODS AEROMICS, INC. 2015-12-03 US disclosed
WO-2015069961-A1 NOVEL PRODRUG SALTS AEROMICS, LLC (US) 2015-05-14 WO disclosed
US-20150133405-A1 Methods AEROMICS, INC. 2015-05-14 US disclosed
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 (12 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-20150342967-A1 METHODS AQP4, AQP1, AQP3 LRRK2 2061/4885P2RX1 2910/4885TMPRSS4 1257/4885
US-20200297740-A1 NOVEL PRODRUG SALTS AQP4, AQP1, AQP3 LRRK2 4315/4885P2RX1 543/4885TMPRSS4 1033/4885
US-20180169118-A1 NOVEL PRODRUG SALTS AQP4, AQP1, AQP3 LRRK2 4315/4885P2RX1 543/4885TMPRSS4 1033/4885
US-20160264604-A1 NOVEL PRODRUG SALTS AQP4, AQP1, AQP3 LRRK2 4315/4885P2RX1 543/4885TMPRSS4 1033/4885
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 LRRK2 4237/4885P2RX1 2507/4885TMPRSS4 4278/4885
US-10258636-B2 Prodrug salts AQP4, AQP1, AQP3 LRRK2 4324/4885P2RX1 556/4885TMPRSS4 1144/4885
US-11084778-B2 Methods of treating cardiac edema, neuromyelitis optica, and hyponatremia AQP4, AQP1, AQP3 LRRK2 2389/4885P2RX1 2805/4885TMPRSS4 946/4885
US-20220143048-A1 NOVEL PRODRUG SALTS AQP4, AQP1, AQP3 LRRK2 4315/4885P2RX1 543/4885TMPRSS4 1033/4885
US-20150133405-A1 Methods AQP4, AQP1, AQP3 LRRK2 2061/4885P2RX1 2910/4885TMPRSS4 1257/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 LRRK2 2356/4885P2RX1 3644/4885TMPRSS4 3984/4885
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AQP4, AQP1, AQP3 LRRK2 1814/4885P2RX1 3317/4885TMPRSS4 1444/4885
US-11071744-B2 Prodrug salts AQP4, AQP1, AQP3 LRRK2 4324/4885P2RX1 556/4885TMPRSS4 1144/4885

“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.