SCHEMBL20077205

SCHEMBL20077205

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33

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
SCHEMBL20077212 1.00 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL20160296 0.82 KDM4E (0.35) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL22015942 0.82 ALDH1A1 (0.38) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL20077217 0.81 MAPT (0.53) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL20077228 0.81 MAPT (0.53) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL22015691 0.80 THRB (0.37) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064309 0.76 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064041 0.76 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064029 0.76 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4660645 0.74 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15

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-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
WO-2018071741-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN MEDICINE EPICENTRIX, INC. (US) 2018-04-19 — — WO 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 SMN1; SMN2 123/4885KDM4E 2187/4885MAPT 1040/4885
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE AS3MT, SLC10A6, SLCO1B3 SMN1; SMN2 123/4885KDM4E 2187/4885MAPT 1040/4885

“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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