SCHEMBL18577895

SCHEMBL18577895

CC1(C)OCC(COS(=O)(=O)c2ccc(C(=O)N(Cc3cccc4ccccc34)Cc3cccc4ccccc34)cc2)(Cn2ccnc2[N+](=O)[O-])CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ CA12 O43570 5/20 0.32
▸ CA2 P00918 5/20 0.32
▸ CA9 Q16790 5/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ CYP19A1 P11511 2/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ CCR3 P51677 1/20 0.31
▸ NR1D1 P20393 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 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
SCHEMBL18577906 0.85 CA12 (0.32) CA12CA2CA9CA1CYP3A4
SCHEMBL18577905 0.83 CYP3A4 (0.34) CA12CA2CA9CA1CYP3A4
SCHEMBL18577916 0.82 CYP1A2 (0.33) CA12CA2CA9CA1CYP3A4
SCHEMBL18577886 0.82 CYP1A2 (0.33) CA12CA2CA9CA1CYP3A4
SCHEMBL18577922 0.82 CYP1A2 (0.33) CA12CA2CA9CA1CYP3A4
SCHEMBL18577891 0.82 CYP1A2 (0.33) CA12CA2CA9CA1CYP3A4
SCHEMBL18633388 0.81 CA12 (0.39) CA12CA2CA9CA1CYP3A4
SCHEMBL18577908 0.81 CA12 (0.36) CA12CA2CA9CA1CYP3A4
SCHEMBL14822353 0.78 CA12 (0.39) CA12CA2CA9CA1CYP3A4
SCHEMBL18589191 0.78 CA12 (0.32) CA12CA2CA9CA1

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 6 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
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 HDAC1 2217/4885HDAC6 2148/4885TRPM8 4829/4885
US-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME AFF1, NPFFR1, AFF2 HDAC1 2217/4885HDAC6 2148/4885TRPM8 4829/4885

“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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