SCHEMBL411326

SCHEMBL411326

C[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.49
PTGS2 P35354 1/20 0.49
HTT P42858 2/20 0.46
AOC3 Q16853 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
UGCG Q16739 6/20 0.41
HTR1A P08908 1/20 0.41
OPRM1 P35372 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
EDNRA P25101 1/20 0.40

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
SCHEMBL851085 0.87 NR3C1 (0.41) PTGS1PTGS2HTT
SCHEMBL22470523 0.86 PTGS1 (0.50) PTGS1PTGS2HTTAOC3KDM4E
SCHEMBL22470521 0.86 PTGS1 (0.50) PTGS1PTGS2HTTAOC3KDM4E
SCHEMBL12000827 0.85 UGCG (0.46) PTGS1PTGS2HTTAOC3KDM4E
SCHEMBL24518259 0.82 UGCG (0.44) PTGS1PTGS2HTTAOC3KDM4E
SCHEMBL22470461 0.82 UGCG (0.44) PTGS1PTGS2HTTAOC3KDM4E
SCHEMBL3015633 0.82 PTGS1 (0.60) PTGS1PTGS2HTTAOC3NPC1
SCHEMBL30695666 0.82 PTGS1 (0.60) PTGS1PTGS2HTTAOC3NPC1
SCHEMBL3015635 0.82 PTGS1 (0.60) PTGS1PTGS2HTTAOC3NPC1
SCHEMBL3820994 0.81 PTGS1 (0.53) PTGS1PTGS2HTTAOC3KDM4E

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 40 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-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-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
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-8916600-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2014-12-23 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 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
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 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 (5 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 PTGS1 168/4885PTGS2 72/4885HTT 4179/4885
US-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R PTGS1 48/4885PTGS2 122/4885HTT 3526/4885
US-20150080434-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES CYP3A5, ABCB1, CYP4X1 PTGS1 105/4885PTGS2 104/4885HTT 4314/4885
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives CYP3A5, ABCB1, CYP4X1 PTGS1 105/4885PTGS2 104/4885HTT 4314/4885
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives CYP3A5, ABCB1, CYP4X1 PTGS1 105/4885PTGS2 104/4885HTT 4314/4885

“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.