SCHEMBL13143633

SCHEMBL13143633

COC(=O)c1ccccc1OC(=O)NCCS(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KMT2A Q03164 5/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ PRSS1 P07477 1/20 0.42
▸ ACR P10323 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ MGLL Q99685 2/20 0.40
▸ GAA P10253 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
SCHEMBL13143725 0.88 TSHR (0.49) L3MBTL1KMT2AHTTMAPTLMNA
SCHEMBL13143658 0.86 KDM4E (0.49) KMT2AHTTMAPTCA9LMNA
SCHEMBL14565138 0.86 SLC6A3 (0.56) SLC6A3KMT2AHTTMAPTPRSS1
SCHEMBL13143730 0.85 HCRTR1 (0.44) KDM4EGLAGAAHPGDHSD17B10
SCHEMBL13143731 0.85 CTNNB1 (0.42) SLC6A3L3MBTL1KMT2AHTTMAPT
SCHEMBL13143745 0.84 HCRTR1 (0.37) L3MBTL1KMT2AKDM4EMEN1HPGD
SCHEMBL235014 0.82 SLC6A3 (0.55) SLC6A3L3MBTL1KMT2AHTTMAPT
SCHEMBL236650 0.81 SLC6A3 (0.54) SLC6A3L3MBTL1KMT2AHTTMAPT
SCHEMBL23231157 0.77 KMT2A (0.65) SLC6A3KMT2AHTTMAPTMEN1
SCHEMBL15344057 0.77 HCRTR1 (0.52) KMT2ACA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 — — US disclosed
US-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 — — US disclosed
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 — — US disclosed
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 — — US disclosed
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 — — US disclosed
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 — — 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-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 SLC6A3 1154/4885L3MBTL1 3044/4885KMT2A 3962/4885
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders HSD17B14, SORD, GPX4 SLC6A3 1154/4885L3MBTL1 3044/4885KMT2A 3962/4885

“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.

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