SCHEMBL21046014

SCHEMBL21046014

CCOC(=O)C(CS)C(=S)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.40
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL27778239 0.88 ALDH1A1 (0.38) CPB2ALDH1A1LMNAHSD17B10CA12
SCHEMBL7755034 0.84 ALDH1A1 (0.46) CPB2ALDH1A1LMNAHSD17B10POLB
SCHEMBL9492387 0.76 ALDH1A1 (0.36) CPB2ALDH1A1LMNAHSD17B10POLB
SCHEMBL27697027 0.75 CPB2 (0.40) CPB2ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL11016179 0.72 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL4990338 0.72 TSHR (0.42) CPB2ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL8356665 0.71 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL11822433 0.71 CPB2 (0.40) CPB2ALDH1A1LMNAHSD17B10POLB
SCHEMBL2875105 0.70 CPB2 (0.60) CPB2ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL11871901 0.70 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169126-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS CHELATION PARTNERS INCORPORATED (CA) 2019-06-06 US claimed
US-12024490-B2 Polymeric metal chelating compositions and methods of preparing same for controlling growth and activities of living cells and organisms for therapeutic use in treating diseases in animals, fish or humans CHELATION PARTNERS INCORPORATED (CA) 2024-07-02 US disclosed
US-20220002250-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS FOR THERAPEUTIC USE IN TREATING DISEASES IN ANIMALS, FISH OR HUMANS JUBILANT CHEMSYS LTD. (IN) 2022-01-06 US disclosed
US-11059785-B2 Polymeric metal chelating compositions and methods of preparing same for controlling growth and activities of living cells and organisms CHELATION PARTNERS INCORPORATED (CA) 2021-07-13 US disclosed
US-20190169126-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS CHELATION PARTNERS INCORPORATED (CA) 2019-06-06 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 (4 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-20220002250-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS FOR THERAPEUTIC USE IN TREATING DISEASES IN ANIMALS, FISH OR HUMANS TFRC, HMBS, PICALM CPB2 1147/4885ALDH1A1 2976/4885LMNA 1051/4885
US-12024490-B2 Polymeric metal chelating compositions and methods of preparing same for controlling growth and activities of living cells and organisms for therapeutic use in treating diseases in animals, fish or humans TFRC, HMBS, PICALM CPB2 1147/4885ALDH1A1 2976/4885LMNA 1051/4885
US-11059785-B2 Polymeric metal chelating compositions and methods of preparing same for controlling growth and activities of living cells and organisms PICALM, HMBS, TFRC CPB2 783/4885ALDH1A1 3416/4885LMNA 1406/4885
US-20190169126-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS PICALM, HMBS, TFRC CPB2 783/4885ALDH1A1 3416/4885LMNA 1406/4885

“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.