SCHEMBL20719110

SCHEMBL20719110

O=S(=O)(Oc1ccc2cccc(C(F)(F)F)c2c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.41
HTR1D P28221 4/20 0.41
HTR1B P28222 4/20 0.41
HSD11B1 P28845 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.39
PTPRC P08575 1/20 0.38
PPARG P37231 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL14924729 0.85 HTR1A (0.41) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL4542485 0.83 HTR1A (0.45) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL25632695 0.83 HTR1A (0.42) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL8016986 0.83 HTR1A (0.42) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL30290794 0.83 CA1 (0.46) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL25060822 0.82 CA1 (0.43) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL30380710 0.82 HTR1A (0.44) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL20719109 0.82 HTR1A (0.44) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL7358534 0.82 HTR1A (0.44) HTR1AHTR1DHTR1BHSD11B1CA1
SCHEMBL12465666 0.80 HPRT1 (0.44) HTR1AHTR1DHTR1BHSD11B1CA1

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
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-03-17 US disclosed
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-09-03 US disclosed
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US disclosed
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 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 (6 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-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 HTR1A 271/4885HTR1D 406/4885HTR1B 286/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 HTR1A 210/4885HTR1D 270/4885HTR1B 257/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 HTR1A 271/4885HTR1D 406/4885HTR1B 286/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 HTR1A 210/4885HTR1D 270/4885HTR1B 257/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 HTR1A 285/4885HTR1D 418/4885HTR1B 310/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 HTR1A 285/4885HTR1D 418/4885HTR1B 310/4885

“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.