SCHEMBL14553429

SCHEMBL14553429

CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCN=[N+]=[N-])cc3S(=O)(=O)O)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ SLC6A4 P31645 7/20 0.39
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ AVPR2 P30518 4/20 0.39
▸ APLNR P35414 2/20 0.38
▸ OXTR P30559 2/20 0.36
▸ ITGB1 P05556 1/20 0.34
▸ ITGA5 P08648 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
SCHEMBL14553400 0.86 MEN1 (0.43) MEN1USP2POLBPPARGBLM
SCHEMBL15200494 0.82 MEN1 (0.63) MEN1USP2POLBPPARGBLM
SCHEMBL14338738 0.81 MEN1 (0.57) MEN1USP2POLBPPARGBLM
SCHEMBL18465895 0.81 MEN1 (0.45) MEN1USP2POLBPPARGBLM
SCHEMBL13286886 0.80 MEN1 (0.63) MEN1USP2POLBPPARGBLM
SCHEMBL13232606 0.75 MEN1 (0.68) MEN1USP2POLBPPARGBLM
SCHEMBL14351071 0.75 MEN1 (0.68) MEN1USP2POLBPPARGBLM
SCHEMBL1083752 0.73 MEN1 (0.68) MEN1USP2POLBPPARGBLM
SCHEMBL838533 0.73 MEN1 (0.68) MEN1USP2POLBPPARGBLM
Water SCHEMBL3843902 0.73 MEN1 (0.67) MEN1USP2POLBPPARGBLM

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-20130011901-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE JNC CORPORATION (JP) 2013-01-10 — — 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 (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-20130011901-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE PTMS, CD38, TIMCC MEN1 498/4885USP2 686/4885POLB 2324/4885

“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.

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