SCHEMBL12506322

SCHEMBL12506322

CC(=O)NC(CCS)C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.37
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ GNPAT O15228 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL16405365 0.84 KDM4E (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12229216 0.84 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16589048 0.84 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12229210 0.82 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14111193 0.79 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20078588 0.78 CTSS (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL24850734 0.78 KDM4E (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL93988 0.78 SMN1; SMN2 (0.69) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL93990 0.78 SMN1; SMN2 (0.69) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL93989 0.78 SMN1; SMN2 (0.69) 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 1 patent. 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

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-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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