SCHEMBL22015829

SCHEMBL22015829

CC[S+]([O-])C[C@H](NC(C)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ GNPAT O15228 2/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ TGFBR1 P36897 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ PAM P19021 1/20 0.33
▸ FOLH1 Q04609 2/20 0.32
▸ NAALAD2 Q9Y3Q0 2/20 0.32
▸ ITGB3 P05106 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
SCHEMBL20077217 0.81 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL20077228 0.81 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL29511592 0.81 MAPT (0.46) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL17768461 0.80 MAPT (0.44) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL21436113 0.80 MAPT (0.44) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL22015842 0.78 ALDH1A1 (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL22015915 0.78 ALDH1A1 (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL22015852 0.75 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL22015695 0.75 NOD1 (0.56) FOLH1
SCHEMBL22015849 0.75 NOD1 (0.56) FOLH1

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-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine EPICENTRX, INC. (US) 2021-05-18 — — US disclosed
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE EPICENTRX, INC. 2020-05-21 — — 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-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine AS3MT, SLC10A6, SLCO1B3 MAPT 1040/4885KDM4E 2187/4885THRB 2938/4885
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE AS3MT, SLC10A6, SLCO1B3 MAPT 1040/4885KDM4E 2187/4885THRB 2938/4885

“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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