SCHEMBL12229216

SCHEMBL12229216

CC(=O)NC(CS)C(=O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ PTGS2 P35354 1/20 0.61
▸ THPO P40225 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.39
▸ ACE P12821 1/20 0.37
▸ FOLH1 Q04609 1/20 0.32

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
SCHEMBL16589048 1.00 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12506322 0.84 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13142865 0.83 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL473922 0.82 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL18827257 0.82 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL24850734 0.81 KDM4E (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16577186 0.80 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9962914 0.78 KDM4E (0.71) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13295204 0.78 KDM4E (0.71) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL23143030 0.78 MAPT (0.39) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951001-B2 Hepatoprotectant acetaminophen mutual prodrugs ACORDA THERAPEUTICS, INC. (US) 2018-04-24 — — US disclosed
US-20160326107-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS NEUROGESX, INC. 2016-11-10 — — US disclosed
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2015-01-22 — — 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-20130281413-A1 Salicylate Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 — — US disclosed
US-20110263545-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS ACORDA THERAPEUTICS, INC. 2011-10-27 — — 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-20090298923-A1 Salicylate Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2009-12-03 — — 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 (7 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-20160326107-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS PTGS1, HPGD, PYGL KDM4E 4868/4885MAPT 2608/4885THRB 3728/4885
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 KDM4E 3003/4885MAPT 3367/4885THRB 897/4885
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders HSD17B14, SORD, GPX4 KDM4E 3003/4885MAPT 3367/4885THRB 897/4885
US-20090298923-A1 Salicylate Conjugates Useful for Treating Metabolic Disorders HSD17B14, FAH, SORD KDM4E 2985/4885MAPT 3756/4885THRB 800/4885
US-20110263545-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS PTGS1, HPGD, PYGL KDM4E 4868/4885MAPT 2608/4885THRB 3728/4885
US-20130281413-A1 Salicylate Conjugates Useful For Treating Metabolic Disorders HSD17B14, FAH, SORD KDM4E 2985/4885MAPT 3756/4885THRB 800/4885
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders IAPP, AMY2A, GPR119 KDM4E 4229/4885MAPT 3542/4885THRB 2141/4885

“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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