SCHEMBL18577916

SCHEMBL18577916

CCCCCCCCN(CCCCCCCC)C(=O)c1ccc(S(=O)(=O)OCC2(Cn3ccnc3[N+](=O)[O-])COC(C)(C)OC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CA12 O43570 5/20 0.33
▸ CA1 P00915 5/20 0.33
▸ CA2 P00918 5/20 0.33
▸ CA9 Q16790 5/20 0.33
▸ THRA P10827 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ NOS1 P29475 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18577886 1.00 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL18577922 1.00 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL18577891 1.00 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL18577905 0.97 CYP3A4 (0.34) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL18577899 0.86 CA2 (0.38) CA12CA1CA2CA9
SCHEMBL18633388 0.84 CA12 (0.39) CYP3A4CYP2C19CA12CA1CA2
SCHEMBL26657800 0.83 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL18577895 0.82 HDAC1 (0.35) CYP3A4CA12CA1CA2CA9
SCHEMBL18589129 0.81 CA12 (0.38) CYP3A4CYP2C19CA12CA1CA2
SCHEMBL14822353 0.81 CA12 (0.39) CYP3A4CYP2C19CA12CA1CA2

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 5 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
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 CYP1A2 142/4885CYP3A4 551/4885CYP2C9 663/4885
US-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME AFF1, NPFFR1, AFF2 CYP1A2 142/4885CYP3A4 551/4885CYP2C9 663/4885

“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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