SCHEMBL4990899

SCHEMBL4990899

O=C(CCC(=O)N[C@@H](CS)C(=O)O)N[C@@H](CS)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

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
FOLH1 Q04609 2/20 0.57
ACE P12821 3/20 0.55
FNTA P49354 5/20 0.53
FNTB P49356 5/20 0.53
PTGS1 P23219 1/20 0.47
GSTK1 Q9Y2Q3 1/20 0.47
GNPAT O15228 1/20 0.47
NOD1 Q9Y239 1/20 0.42
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41

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
SCHEMBL29936413 0.94 FOLH1 (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929193 0.91 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8655066 0.87 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4321775 0.87 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2350309 0.87 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8655062 0.87 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929531 0.87 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2350303 0.87 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9837855 0.87 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8861972 0.86 KDM4E (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming L'OREAL S.A. (FR) 2008-06-12 US claimed
US-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming L'OREAL S.A. (FR) 2008-06-12 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 (1 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-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming AASDHPPT, BHMT2, ALAD KDM4E 1902/4885MAPT 1421/4885THRB 3230/4885

“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.