SCHEMBL14287969

SCHEMBL14287969

CSC(=O)[C@H](CS)NC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.63
▸ KDM4E B2RXH2 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 4/20 0.41
▸ ACE P12821 1/20 0.38
▸ PAM P19021 1/20 0.36
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ FOLH1 Q04609 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL14984819 0.83 KDM4E (0.59) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL3233945 0.81 MAPT (0.88) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL9962914 0.79 KDM4E (0.71) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL13295204 0.79 KDM4E (0.71) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL13781427 0.79 KDM4E (0.39) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL13630654 0.79 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL32679539 0.79 KDM4E (0.53) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL5291 0.77 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL1384791 0.77 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL3923962 0.77 MAPT (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323573-B2 Production of polyketides KOSAN BIOSCIENCES, INC. (US) 2008-01-29 — — US disclosed
US-20070281343-A9 Recombinant Myxococcus host cells used to produce polyketides, including epothilone and epothilone analogs; agriculture, chemistry, medicinal chemistry, medicine, molecular biology, and pharmacology ARSLANIAN ROBERT L 2007-12-06 — — US disclosed
US-20070092954-A1 Production of polyketides ARSLANIAN ROBERT L 2007-04-26 — — 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-20070092954-A1 Production of polyketides DHPS, MRPL21, FDFT1 MAPT 3087/4885KDM4E 3237/4885THRB 1362/4885
US-20070281343-A9 Recombinant Myxococcus host cells used to produce polyketides, including epothilone and epothilone analogs; agriculture, chemistry, medicinal chemistry, medicine, molecular biology, and pharmacology MRPL21, SQLE, DHPS MAPT 2459/4885KDM4E 3233/4885THRB 509/4885

“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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