SCHEMBL23717404

SCHEMBL23717404

CCCCCCCCN(CC(C)C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.43
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 4/20 0.42
CA2 P00918 2/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
MGLL Q99685 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
EPHX1 P07099 1/20 0.37
DNM1 Q05193 1/20 0.37
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL5208986 0.92 MMP1 (0.48) GGPS1CA12CA1CA9CA2
SCHEMBL7534653 0.85 GGPS1 (0.43) GGPS1CA12CA1CA9CA2
SCHEMBL5208268 0.84 CA12 (0.46) CA12CA1CA9CA2MAPK1
SCHEMBL4139404 0.83 CA12 (0.52) CA12CA1CA9CA2MMP1
SCHEMBL4163491 0.83 CA12 (0.52) CA12CA1CA9CA2MMP1
SCHEMBL4149053 0.83 CA12 (0.52) CA12CA1CA9CA2MMP1
SCHEMBL2482724 0.83 CA12 (0.52) CA12CA1CA9CA2MMP1
SCHEMBL1742678 0.83 CA12 (0.52) CA12CA1CA9CA2MMP1
SCHEMBL4155109 0.83 CA12 (0.52) CA12CA1CA9CA2MMP1
SCHEMBL11343070 0.83 CA12 (0.52) CA12CA1CA9CA2MMP1

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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 GGPS1 4729/4885CA12 873/4885CA1 3712/4885

“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.