SCHEMBL29520183

SCHEMBL29520183

O=S(=O)(NO)c1cncs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
CA1 P00915 9/20 0.36
CA2 P00918 9/20 0.36
MMP1 P03956 9/20 0.36
MMP2 P08253 9/20 0.36
MMP9 P14780 9/20 0.36
MMP8 P22894 9/20 0.36
MMP13 P45452 9/20 0.36
NAMPT P43490 1/20 0.36
KAT7 O95251 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
KMT2A Q03164 1/20 0.31

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
SCHEMBL5654171 0.79 ABCC9 (0.37) ABCC9ABCC8KCNJ11KCNJ8CA1
SCHEMBL8560391 0.77 TDP1 (0.40) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL2405352 0.76
SCHEMBL4659266 0.75 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL5657468 0.75 ABCC9 (0.35) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL6761611 0.71
SCHEMBL9095381 0.71 NAMPT (0.34) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL4659111 0.68 ALDH1A1 (0.34) KAT7KAT6AKAT5KAT8KMT2A
SCHEMBL29227781 0.67 MAPT (0.37) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL9096607 0.65 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2022-04-19 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 (1 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-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 ABCC9 343/4885ABCC8 651/4885KCNJ11 3717/4885

“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.