SCHEMBL13630654

SCHEMBL13630654

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ THPO P40225 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PAM P19021 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ ACE P12821 1/20 0.33

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
SCHEMBL13179777 0.85 KDM4E (0.49) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL14789044 0.84 PAM (0.39) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL13142865 0.83 KDM4E (0.47) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL13295204 0.80 KDM4E (0.71) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL9962914 0.80 KDM4E (0.71) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL14287969 0.79 MAPT (0.63) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL10564990 0.79 MAPT (0.42) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL14984819 0.76 KDM4E (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL14066339 0.74 MAPT (0.45) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL12931595 0.74 MAPT (0.45) MAPTKDM4ETHRBALOX15NFKB1

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-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-20130281413-A1 Salicylate 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
WO-2013037985-A1 PHARMACEUTICAL COMBINATIONS INCLUDING ANTI-INFLAMMATORY AND ANTIOXIDANT CONJUGATES USEFUL FOR TREATING METABOLIC DISORDERS GENMEDICA THERAPUTICS SL (ES) 2013-03-21 — — WO disclosed
WO-2009138437-A1 SALICYLATE CONJUGATES USEFUL FOR TREATING METABOLIC DISORDERS GENMEDICA THERAPEUTICS SL (ES) 2009-11-19 — — 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 (3 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 MAPT 3367/4885KDM4E 3003/4885THRB 897/4885
US-20130281413-A1 Salicylate Conjugates Useful For Treating Metabolic Disorders HSD17B14, FAH, SORD MAPT 3756/4885KDM4E 2985/4885THRB 800/4885
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders IAPP, AMY2A, GPR119 MAPT 3542/4885KDM4E 4229/4885THRB 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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