SCHEMBL19329964

SCHEMBL19329964

CS(=O)(=O)c1cccc([C@H](c2ccc(F)cc2)[C@@H](O)CN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A3 Q01959 1/20 0.41
VNN1 O95497 1/20 0.38
PTGS2 P35354 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
EPHX2 P34913 4/20 0.37
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA1D P25100 1/20 0.35

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
SCHEMBL20838412 1.00 PTGDR2 (0.43) PTGDR2SLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL20838359 0.81 SLC6A2 (0.51) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL19346591 0.81 SLC6A2 (0.51) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL19346688 0.81 SLC6A2 (0.51) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL20838426 0.80 SLC6A2 (0.42) SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL20838427 0.80 SLC6A2 (0.42) SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL29881343 0.80 SLC6A2 (0.42) SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL19330079 0.79 CASP3 (0.40) PTGDR2SLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL20838409 0.79 CASP3 (0.40) PTGDR2SLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL19329845 0.77 SLC6A4 (0.46) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11453677-B2 Tricyclic compounds useful to treat orthomyxovirus infections NOVARTIS AG (CH) 2022-09-27 US disclosed
US-11453677-B2 Tricyclic compounds useful to treat orthomyxovirus infections NOVARTIS AG (CH) 2022-09-27 US disclosed
CN-108699059-B Tricyclic compounds useful for treating orthomyxovirus infections 诺华股份有限公司 2021-06-18 CN disclosed
EP-3426656-B1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2021-05-12 EP disclosed
US-10858366-B2 Tricyclic compounds useful to treat orthomyxovirus infections NOVARTIS AG (CH) 2020-12-08 US disclosed
US-10858366-B2 Tricyclic compounds useful to treat orthomyxovirus infections NOVARTIS AG (CH) 2020-12-08 US disclosed
US-20200347072-A1 Tricyclic Compounds Useful to Treat Orthomyxovirus Infections NOVARTIS AG (CH) 2020-11-05 US disclosed
US-20200347072-A1 Tricyclic Compounds Useful to Treat Orthomyxovirus Infections NOVARTIS AG (CH) 2020-11-05 US disclosed
US-20190092780-A1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2019-03-28 US disclosed
US-20190092780-A1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2019-03-28 US disclosed
EP-3426656-A1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2019-01-16 EP disclosed
WO-2017153919-A1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2017-09-14 WO disclosed
WO-2017153919-A1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2017-09-14 WO 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 (4 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-10858366-B2 Tricyclic compounds useful to treat orthomyxovirus infections ZC3HAV1, OTC, THOP1 PTGDR2 4292/4885SLC6A2 3183/4885SLC6A4 3749/4885
US-20200347072-A1 Tricyclic Compounds Useful to Treat Orthomyxovirus Infections ZC3HAV1, OTC, THOP1 PTGDR2 4272/4885SLC6A2 3183/4885SLC6A4 3714/4885
US-11453677-B2 Tricyclic compounds useful to treat orthomyxovirus infections ZC3HAV1, OTC, THOP1 PTGDR2 4272/4885SLC6A2 3183/4885SLC6A4 3714/4885
US-20190092780-A1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS ZC3HAV1, OTC, THOP1 PTGDR2 4292/4885SLC6A2 3183/4885SLC6A4 3749/4885

“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.