SCHEMBL22015915

SCHEMBL22015915

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nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ 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
▸ FOLH1 Q04609 2/20 0.36
▸ NAALAD2 Q9Y3Q0 2/20 0.36
▸ GNPAT O15228 2/20 0.36
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ PSMB11 A5LHX3 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
SCHEMBL22015842 1.00 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL22015852 0.86 MAPT (0.52) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL22015942 0.82 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL20077217 0.81 MAPT (0.53) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL20077228 0.81 MAPT (0.53) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL22015928 0.81 FOLH1 (0.34) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL22015829 0.78 MAPT (0.50) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL22016030 0.77 SIRT6 (0.42) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL22015678 0.75 NOD1 (0.52) ALOX15BLMFOLH1KMT2A
SCHEMBL22015844 0.74 SMN1; SMN2 (0.46) 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 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 ALDH1A1 2681/4885MAPT 1040/4885KDM4E 2187/4885
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE AS3MT, SLC10A6, SLCO1B3 ALDH1A1 2681/4885MAPT 1040/4885KDM4E 2187/4885

“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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