SCHEMBL835233

SCHEMBL835233

O=S(=O)(Oc1ccc(-c2ccc(-c3cccnc3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
SCN9A Q15858 1/20 0.40
PTGS1 P23219 1/20 0.39
ADORA2A P29274 3/20 0.38
S1PR1 P21453 1/20 0.38
ADORA2B P29275 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
PRMT5 O14744 1/20 0.37
CYP19A1 P11511 2/20 0.37
ADORA1 P30542 2/20 0.36
NPC1 O15118 1/20 0.36
CYP17A1 P05093 1/20 0.36
PDK2 Q15119 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL835238 0.88 ABL1 (0.38) ADORA2ASLC22A12PRMT5ADORA1
SCHEMBL834531 0.86 SCN9A (0.39) SCN9AADORA2AADORA2BSLC22A12ADORA1
SCHEMBL835228 0.83 PDE4A (0.37) PTGS2PTGS1ADORA2ASLC22A12ADORA1
SCHEMBL9172136 0.82 CA1 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL834264 0.81 PADI1 (0.43) PTGS2PTGS1ADORA2AADORA2BADORA1
SCHEMBL7220134 0.80 CYP19A1 (0.54) ADORA2AADORA2BCYP11B1CYP19A1ADORA1
SCHEMBL835250 0.80 ADORA2B (0.37) SCN9AADORA2AADORA2BSLC22A12ADORA1
SCHEMBL830046 0.75 CYP19A1 (0.54) PTGS2ADORA2AADORA2BCYP11B1CYP11B2
SCHEMBL834263 0.75 CYP19A1 (0.54) PTGS2PTGS1ADORA2AADORA2BCYP19A1
SCHEMBL834528 0.75 CYP2A6 (0.44) PTGS2ADORA2AADORA2BCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 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 (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-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative XDH, CYP2C9, CYP4X1 PTGS2 791/4885SCN9A 369/4885PTGS1 637/4885
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 PTGS2 913/4885SCN9A 332/4885PTGS1 720/4885

“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.