Calcobutrol

Calcobutrol

SCHEMBL22763151

O=C(O)CN1CCN(CC(=O)O)CCN(C(CO)[C@H](O)CO)CCN(CC(=O)O)CC1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.43
HSD17B10 Q99714 1/20 0.40
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31
TACR1 P25103 3/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
PDE4A P27815 1/20 0.31
S1PR1 P21453 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL12671512 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL29764073 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL1875231 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
SCHEMBL23802704 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL16479551 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
SCHEMBL23802703 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL10024738 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL20540234 1.00 SLC6A9 (0.43) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL21618318 0.98 SLC6A9 (0.42) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1
Calcobutrol SCHEMBL14834269 0.98 SLC6A9 (0.42) SLC6A9HSD17B10CACNA2D1CACNA1BCACNB1

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-11192864-B2 Method for producing calcobutrol ENZYCHEM LIFESCIENCES CORPORATION (KR) 2021-12-07 US disclosed
US-20200385358-A1 METHOD FOR PRODUCING CALCOBUTROL ENZYCHEM LIFESCIENCES CORPORATION (KR) 2020-12-10 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-20200385358-A1 METHOD FOR PRODUCING CALCOBUTROL CALCB, CACYBP, CALCA SLC6A9 1746/4885HSD17B10 2997/4885CACNA2D1 330/4885
US-11192864-B2 Method for producing calcobutrol CALCB, CACYBP, CALCA SLC6A9 1746/4885HSD17B10 2997/4885CACNA2D1 330/4885

“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.