SCHEMBL18589129

SCHEMBL18589129

CCc1ccc(S(=O)(=O)OCC2(Cn3ccnc3[N+](=O)[O-])COC(C)(C)OC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.38
▸ CA1 P00915 5/20 0.38
▸ CA2 P00918 5/20 0.38
▸ CA9 Q16790 5/20 0.38
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ TYMP P19971 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL14822353 0.90 CA12 (0.39) CA12CA1CA2CA9CYP3A4
SCHEMBL18633388 0.86 CA12 (0.39) CA12CA1CA2CA9CYP3A4
SCHEMBL18577905 0.82 CYP3A4 (0.34) CA12CA1CA2CA9CYP3A4
SCHEMBL15899140 0.82 CA12 (0.41) CA12CA1CA2CA9CYP3A4
SCHEMBL18577891 0.81 CYP1A2 (0.33) CA12CA1CA2CA9CYP3A4
SCHEMBL18577922 0.81 CYP1A2 (0.33) CA12CA1CA2CA9CYP3A4
SCHEMBL18577916 0.81 CYP1A2 (0.33) CA12CA1CA2CA9CYP3A4
SCHEMBL18577886 0.81 CYP1A2 (0.33) CA12CA1CA2CA9CYP3A4
SCHEMBL18577912 0.80 CA12 (0.39) CA12CA1CA2CA9CYP3A4
SCHEMBL18589182 0.79 CA12 (0.42) CA12CA1CA2CA9CYP3A4

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-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 (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-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME AFF1, NPFFR1, AFF2 CA12 535/4885CA1 3259/4885CA2 3956/4885

“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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