SCHEMBL12537111

SCHEMBL12537111

CC(=O)CC[C@H](NC(C)=O)C(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.33
▸ FOLH1 Q04609 4/20 0.33
▸ NAALAD2 Q9Y3Q0 2/20 0.32
▸ RIMKLA Q8IXN7 1/20 0.31
▸ GNPAT O15228 1/20 0.31
▸ PAM P19021 1/20 0.31

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
SCHEMBL10308608 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL23685458 0.86 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL10308346 0.86 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL12537168 0.85 DPP4 (0.40) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL22929119 0.82 NAALAD2 (0.32) ALDH1A1NAALAD2
SCHEMBL19477961 0.82 ALDH1A1 (0.36) ALDH1A1FOLH1
SCHEMBL22301081 0.82 ALDH1A1 (0.36) ALDH1A1FOLH1
SCHEMBL12537183 0.82 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL24983988 0.81 MAPT (0.43) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL8254919 0.81 MAPT (0.43) ALDH1A1MAPTKDM4ETHRBALOX15

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-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-02 — — 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-20110130349-A1 Compounds and Methods for Treating Toll-Like Receptor 2-Related Diseases and Conditions TLR2, TLR6, TLR3 ALDH1A1 1679/4885MAPT 2253/4885KDM4E 4404/4885

“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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