SCHEMBL7999610

SCHEMBL7999610

CC(=O)N[C@@H](CS)C(=O)OC(=O)[C@@H](CS)NC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
MAPT P10636 1/20 0.63
THRB P10828 1/20 0.63
ALOX15 P16050 1/20 0.63
NFKB1 P19838 1/20 0.63
PTGS2 P35354 1/20 0.63
THPO P40225 1/20 0.63
RECQL P46063 1/20 0.63
BLM P54132 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
ALDH1A1 P00352 1/20 0.41
ACE P12821 1/20 0.38
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
TACR1 P25103 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 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
SCHEMBL7999598 1.00 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5599294 1.00 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6815850 0.94 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7646224 0.91 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7934243 0.89 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14837082 0.88 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2298043 0.87 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112331 0.87 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14088106 0.87 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112332 0.87 SMN1; SMN2 (0.63) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030323-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION TIARA PHARMACEUTICALS, INC. (US) 2014-01-30 US disclosed
US-20140030323-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION TIARA PHARMACEUTICALS, INC. (US) 2014-01-30 US disclosed
US-8524772-B2 Controlled release of N-acetylcysteine (NAC) for reduction of systemic and/or vascular inflammation TIARA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-8524772-B2 Controlled release of N-acetylcysteine (NAC) for reduction of systemic and/or vascular inflammation TIARA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-20110244045-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION TIARA PHARMACEUTICALS ,INC. (US) 2011-10-06 US disclosed
US-20110244045-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION TIARA PHARMACEUTICALS ,INC. (US) 2011-10-06 US disclosed
WO-2009137827-A2 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION TIARA PHARMACEUTICALS, INC. (US) 2009-11-12 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 (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-20140030323-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION IL6, IL1B, NACA KDM4E 4849/4885MAPT 2103/4885THRB 3934/4885
US-20110244045-A1 CONTROLLED RELEASE OF N-ACETYLCYSTEINE (NAC) FOR REDUCTION OF SYSTEMIC AND/OR VASCULAR INFLAMMATION IL6, IL1B, NACA KDM4E 4849/4885MAPT 2103/4885THRB 3934/4885

“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.