SCHEMBL441358

SCHEMBL441358

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 4/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
TRPA1 O75762 1/20 0.42

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
SCHEMBL441357 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL851229 0.87 TAS1R3 (0.40) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL3018642 0.87 TAS1R3 (0.40) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL15135131 0.81 RAB9A (0.55) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL1455906 0.80 TRPA1 (0.39) RAB9ANPC1HPGDKDM4EGLA
SCHEMBL1455905 0.80 TRPA1 (0.39) RAB9ANPC1HPGDKDM4EGLA
SCHEMBL25865289 0.80 TAS1R3 (0.43) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL411326 0.77 PTGS1 (0.49) RAB9ANPC1HPGDKDM4ETSHR
SCHEMBL15081451 0.76 SLC6A3 (0.63) SMN1; SMN2HPGDALDH1A1KDM4EGLA
SCHEMBL18660861 0.76 PPARG (0.49) SMN1; SMN2HPGDALDH1A1KDM4ETSHR

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 58 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-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-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-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
WO-2009142571-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 WO disclosed
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP 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-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
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 SMN1; SMN2 4640/4885RAB9A 1785/4885NPC1 30/4885
US-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R SMN1; SMN2 4085/4885RAB9A 2317/4885NPC1 1476/4885
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives CYP3A5, ABCB1, CYP4X1 SMN1; SMN2 4778/4885RAB9A 3489/4885NPC1 249/4885
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives CYP3A5, ABCB1, CYP4X1 SMN1; SMN2 4778/4885RAB9A 3489/4885NPC1 249/4885

“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.