SCHEMBL3274628

SCHEMBL3274628

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.40
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MME P08473 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL3274635 1.00 NR3C1 (0.40) NR3C1ALDH1A1HPGDKMT2AMEN1
SCHEMBL10297471 0.84 NR3C1 (0.42) NR3C1HPGD
SCHEMBL3006190 0.82 OGA (0.43) NR3C1PTGS1PTGS2
SCHEMBL3006193 0.82 OGA (0.43) NR3C1PTGS1PTGS2
SCHEMBL3838057 0.82 NR3C1 (0.37) NR3C1KMT2AMEN1MMEPTGS1
SCHEMBL10297470 0.79 KDM4E (0.45) ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3275614 0.78 KDM4E (0.46) ALDH1A1KMT2A
SCHEMBL3015635 0.78 PTGS1 (0.60) PTGS1PTGS2
SCHEMBL30695666 0.78 PTGS1 (0.60) PTGS1PTGS2
SCHEMBL3015633 0.78 PTGS1 (0.60) PTGS1PTGS2

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 10 patents. 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
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-8916600-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2014-12-23 US disclosed
EP-2620435-A1 Phenyl and benzodioxinyl substituted indazole derivatives Astrazeneca AB (SE) 2013-07-31 EP 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-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-08 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 (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 NR3C1 1959/4885ALDH1A1 601/4885HPGD 50/4885
US-20150080434-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES CYP3A5, ABCB1, CYP4X1 NR3C1 1496/4885ALDH1A1 611/4885HPGD 44/4885
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives CYP3A5, ABCB1, CYP4X1 NR3C1 1496/4885ALDH1A1 611/4885HPGD 44/4885
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives CYP3A5, ABCB1, CYP4X1 NR3C1 1496/4885ALDH1A1 611/4885HPGD 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.