SCHEMBL1455906

SCHEMBL1455906

C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)OCOC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
NR3C1 P04150 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL1455905 1.00 TRPA1 (0.39) TRPA1KDM4EHPGDGLAGAA
SCHEMBL27983374 0.89 ADRB2 (0.35) TRPA1KDM4EHPGDGAAADRB2
SCHEMBL3018642 0.84 TAS1R3 (0.40) TRPA1KDM4EHPGDGLAGAA
SCHEMBL851229 0.84 TAS1R3 (0.40) TRPA1KDM4EHPGDGLAGAA
SCHEMBL441358 0.80 SMN1; SMN2 (0.48) TRPA1KDM4EHPGDGLAGAA
SCHEMBL441357 0.80 SMN1; SMN2 (0.48) TRPA1KDM4EHPGDGLAGAA
SCHEMBL10297471 0.79 NR3C1 (0.42) KDM4EHPGDNR3C1NPC1RAB9A
SCHEMBL27816466 0.77 TAS1R3 (0.36) KDM4EHPGDGAAADRB2ADRB1
SCHEMBL25865289 0.73 TAS1R3 (0.43) KDM4EHPGDADRB2ADRB1ADRB3
SCHEMBL15081451 0.72 SLC6A3 (0.63) TRPA1KDM4EHPGDGLAGAA

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-9738632-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2017-08-22 US disclosed
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2017-03-23 US disclosed
US-9512110-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2016-12-06 US disclosed
US-9512110-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2016-12-06 US disclosed
US-9512110-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2016-12-06 US disclosed
EP-2291369-B1 BENZODIOXINYL SUBSTITUTED INDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2015-11-04 EP disclosed
US-20150080434-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2015-03-19 US disclosed
US-20150080434-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2015-03-19 US disclosed
US-20150080434-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2015-03-19 US disclosed
US-8916600-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2014-12-23 US disclosed
US-20120302617-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives ASTRAZENECA AB (SE) 2012-11-29 US disclosed
US-8211930-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2012-07-03 US disclosed
US-8211930-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2012-07-03 US disclosed
US-8211930-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2012-07-03 US disclosed
WO-2011061527-A1 COMBINATIONS COMPRISING A GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-05-26 WO disclosed
EP-2291369-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES AstraZeneca AB (SE) 2011-03-09 EP disclosed
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-08 US disclosed
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-08 US disclosed
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-08 US disclosed
WO-2009142571-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 WO 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 (4 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-20120302617-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives CYP3A5, CYP4X1, CYP3A7 TRPA1 1047/4885KDM4E 1972/4885HPGD 50/4885
US-20150080434-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES CYP3A5, ABCB1, CYP4X1 TRPA1 1228/4885KDM4E 2553/4885HPGD 44/4885
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives CYP3A5, ABCB1, CYP4X1 TRPA1 1228/4885KDM4E 2553/4885HPGD 44/4885
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives CYP3A5, ABCB1, CYP4X1 TRPA1 1228/4885KDM4E 2553/4885HPGD 44/4885

“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.