SCHEMBL16259017

SCHEMBL16259017

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nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ THPO P40225 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ RAB9A P51151 1/20 0.43
▸ ACE P12821 4/20 0.42
▸ MTNR1A P48039 3/20 0.42
▸ MTNR1B P49286 3/20 0.42
▸ PRNP P04156 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PAM P19021 1/20 0.41
▸ PSMB11 A5LHX3 1/20 0.39

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
SCHEMBL13988071 1.00 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL26946036 0.86 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL25340359 0.83 MAPT (0.57) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL12989759 0.82 ACE (0.48) ACE
SCHEMBL18979837 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL18979836 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL31555346 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL6308419 0.81 MAPT (0.59) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL24067699 0.81 MAPT (0.59) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL4952983 0.81 MAPT (0.59) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479579-B2 Therapeutic compounds and methods REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-10-25 — — US disclosed
US-20210277055-A1 THERAPEUTIC COMPOUNDS AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-09-09 — — US disclosed
US-10590159-B2 Lincomycin biosynthetic intermediates, method for preparation, and use thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-03-17 — — US disclosed
US-9468625-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2016-10-18 — — US disclosed
US-9468625-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2016-10-18 — — US disclosed
US-9457014-B2 Cysteine prodrugs PROMENTIS PHARMACEUTICALS, INC. (US) 2016-10-04 — — US disclosed
US-9457014-B2 Cysteine prodrugs PROMENTIS PHARMACEUTICALS, INC. (US) 2016-10-04 — — US disclosed
US-20160081987-A1 Cysteine Prodrugs PROMENTIS PHARMACEUTICALS, INC. (US) 2016-03-24 — — US disclosed
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. 2016-03-24 — — US disclosed
US-20160081987-A1 Cysteine Prodrugs PROMENTIS PHARMACEUTICALS, INC. (US) 2016-03-24 — — US disclosed
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. 2016-03-24 — — US disclosed
US-9139519-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2015-09-22 — — US disclosed
US-20150045312-A1 Use of Compounds Elevating Glutathione Levels for the Treatment of Autism, Autistic Spectrum Disorders and Fragile X Syndrome PROMENTIS PHARMACEUTICALS, INC. 2015-02-12 — — US disclosed
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. (US) 2014-11-27 — — 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 (7 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-11479579-B2 Therapeutic compounds and methods SNCA, PARK7, PSEN2 ALDH1A1 434/4885MAPT 18/4885KDM4E 4689/4885
US-10590159-B2 Lincomycin biosynthetic intermediates, method for preparation, and use thereof COASY, DHPS, DCXR ALDH1A1 1335/4885MAPT 3458/4885KDM4E 2547/4885
US-20150045312-A1 Use of Compounds Elevating Glutathione Levels for the Treatment of Autism, Autistic Spectrum Disorders and Fragile X Syndrome SLC7A11, SLC1A2, GSS ALDH1A1 1620/4885MAPT 1933/4885KDM4E 4468/4885
US-20160081987-A1 Cysteine Prodrugs SLC7A11, GCLC, CTH ALDH1A1 636/4885MAPT 10/4885KDM4E 3877/4885
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, SLCO2A1, SLCO2B1 ALDH1A1 1453/4885MAPT 2777/4885KDM4E 747/4885
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, XPOT, NPM1 ALDH1A1 2447/4885MAPT 2770/4885KDM4E 1061/4885
US-20210277055-A1 THERAPEUTIC COMPOUNDS AND METHODS SNCA, PARK7, PSEN2 ALDH1A1 434/4885MAPT 18/4885KDM4E 4689/4885

“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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