SCHEMBL8739588

SCHEMBL8739588

COC(=O)[C@H](CSC)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
CYP2C9 P11712 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL9688310 1.00 GAA (0.42) GAAKDM4EMAPTTHRBALOX15
SCHEMBL2873174 0.88 ITGB1 (0.48) GAAKDM4EMAPTTHRBALOX15
SCHEMBL2872923 0.88 ITGB1 (0.48) GAAKDM4EMAPTTHRBALOX15
SCHEMBL2408947 0.88 ITGB1 (0.48) GAAKDM4EMAPTTHRBALOX15
SCHEMBL9515885 0.86 GAA (0.40) GAAALDH1A1HTTL3MBTL1CYP2C9
SCHEMBL14409743 0.84 MME (0.41) GAAKDM4EMAPTTHRBALOX15
SCHEMBL6470507 0.84 KDM4E (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5656969 0.84 KDM4E (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL18481185 0.84 KDM4E (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9966095 0.84 KDM4E (0.38) KDM4EMAPTTHRBALOX15NFKB1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022084747-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-04-28 WO disclosed
US-20170204123-A1 Gold (I)-Phosphine Compounds as Anti-Bacterial Agents AUSPHERIX LIMITED (GB) 2017-07-20 US disclosed
US-9695240-B2 Anthracycline derivative conjugates, process for their preparation and their use as antitumor compounds GENENTECH, INC. (US) 2017-07-04 US disclosed
US-9468625-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2016-10-18 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-20150051380-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS GENENTECH, INC. (US) 2015-02-19 US disclosed
US-8900589-B2 Anthracycline derivative conjugates, process for their preparation and their use as antitumor compounds GENETECH, INC. (US) 2014-12-02 US disclosed
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. (US) 2014-11-27 US disclosed
WO-2013052164-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. (US) 2013-04-11 WO disclosed
US-8389697-B2 Anthracycline derivative conjugates, process for their preparation and their use as antitumor compounds GENENTECH, INC. (US) 2013-03-05 US disclosed
US-20120130059-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS BERIA ITALO (IT) 2012-05-24 US disclosed
US-20100034837-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS GENENTECH, INC. 2010-02-11 US disclosed
EP-0373339-B1 Silver halide recording material AGFA GEVAERT AG (DE) 1994-05-04 EP disclosed
US-5089381-A SILVER HALIDE RECORDING MATERIAL AGFA-GEVAERT AG (DE) 1992-02-18 US disclosed
EP-0373339-A1 Silver halide recording material Agfa-Gevaert AG (DE) 1990-06-20 EP disclosed
EP-0051682-B1 CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1984-09-05 EP disclosed
US-4440788-A REGENERATION OF LIVER CELLS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1984-04-03 US disclosed
EP-0051682-A1 CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1982-05-19 EP 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 (6 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-20150051380-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS MRPL21, BCR, MYD88 GAA 221/4885KDM4E 3707/4885MAPT 3714/4885
US-20170204123-A1 Gold (I)-Phosphine Compounds as Anti-Bacterial Agents RER1, CHRM1, ME1 GAA 4843/4885KDM4E 2284/4885MAPT 4400/4885
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, SLCO2A1, SLCO2B1 GAA 1604/4885KDM4E 747/4885MAPT 2777/4885
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, XPOT, NPM1 GAA 2585/4885KDM4E 1061/4885MAPT 2770/4885
US-20100034837-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS MRPL21, BCR, MYD88 GAA 221/4885KDM4E 3707/4885MAPT 3714/4885
US-20120130059-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS MRPL21, BCR, MYD88 GAA 221/4885KDM4E 3707/4885MAPT 3714/4885

“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.