SCHEMBL18577899

SCHEMBL18577899

CCCCCCCCCCCCc1ccc(S(=O)(=O)OCC2(Cn3ccnc3[N+](=O)[O-])COC(C)(C)OC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.38
▸ CA12 O43570 5/20 0.38
▸ CA1 P00915 5/20 0.38
▸ CA9 Q16790 5/20 0.38
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PLA2G4A P47712 3/20 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
SCHEMBL18577916 0.86 CYP1A2 (0.33) CA2CA12CA1CA9
SCHEMBL14822353 0.86 CA12 (0.39) CA2CA12CA1CA9LMNA
SCHEMBL18633388 0.82 CA12 (0.39) CA2CA12CA1CA9LMNA
SCHEMBL26657800 0.79 CA12 (0.31) CA2CA12CA1CA9
SCHEMBL15899140 0.78 CA12 (0.41) CA2CA12CA1CA9KDM4E
SCHEMBL18577912 0.75 CA12 (0.39) CA2CA12CA1CA9LMNA
SCHEMBL18589182 0.75 CA12 (0.42) CA2CA12CA1CA9LMNA
SCHEMBL18589191 0.74 CA12 (0.32) CA2CA12CA1CA9
SCHEMBL18577895 0.74 HDAC1 (0.35) CA2CA12CA1CA9
SCHEMBL15899409 0.72 CA12 (0.37) CA2CA12CA1CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141537-B1 A LABELING PRECURSOR COMPOUND AND METHOD FOR PRODUCING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDIPHYSICS CO LTD (JP) 2018-11-07 — — EP disclosed
US-10081620-B2 Radioactive fluorine labeling precursor compound and method for manufacturing radioactive fluorine labeled compound using the same NIHON MEDI-PHYSICS CO., LTD. (JP) 2018-09-25 — — US disclosed
EP-3141537-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-03-15 — — EP disclosed
US-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-03-09 — — 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-10081620-B2 Radioactive fluorine labeling precursor compound and method for manufacturing radioactive fluorine labeled compound using the same AFF1, NPFFR1, AFF2 CA2 3956/4885CA12 535/4885CA1 3259/4885
US-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME AFF1, NPFFR1, AFF2 CA2 3956/4885CA12 535/4885CA1 3259/4885

“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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