SCHEMBL17518496

SCHEMBL17518496

Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(F)cc(F)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.35
▸ BTK Q06187 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ELANE P08246 1/20 0.33
▸ PRTN3 P24158 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ UBE2N P61088 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KLK7 P49862 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL17518589 0.92 JAK2 (0.35) JAK2BTKPKMCA1CA2
SCHEMBL17504500 0.87 KDM1A (0.34) JAK2BTKPKMCA1CA2
SCHEMBL21068128 0.86 JAK2 (0.46) JAK2BTKPKMCA1CA2
SCHEMBL12011377 0.83 HTR6 (0.43) HTR6KDM4EUBE2NPTGDR2LMNA
SCHEMBL28473997 0.83 JAK2 (0.36) JAK2BTKHTR6MAPTKLK7
SCHEMBL1892254 0.81 HTR6 (0.39) PKMHTR6KDM4EUBE2NGAA
SCHEMBL2126011 0.81 PTPN11 (0.38) PKMELANEPRTN3KDM4EUBE2N
SCHEMBL20576304 0.79 L3MBTL1 (0.34) PKMCA1CA2ELANEPRTN3
SCHEMBL19213030 0.79 HTR6 (0.41) PKMCA1CA2HTR6KDM4E
SCHEMBL1890130 0.78 KDM4E (0.44) PKMELANEPRTN3HTR6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641868-B Inhibitors of influenza virus replication and methods of use and uses thereof 广东东阳光药业有限公司 2021-12-03 — — CN disclosed
CN-107759571-B Inhibitors of influenza virus replication and methods of use and uses thereof 广东东阳光药业有限公司 2021-03-02 — — CN disclosed
US-10597390-B2 Indoles for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2020-03-24 — — US disclosed
US-20190185456-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-06-20 — — US disclosed
WO-2018033082-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-22 — — WO disclosed
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-08-10 — — US disclosed
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-08-10 — — US disclosed
WO-2017125506-A1 ARYL SUBSTITUTED PYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2017-07-27 — — WO disclosed
WO-2017089518-A1 HETEROCYCLIC INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2017-06-01 — — WO disclosed
WO-2016020526-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2016-02-11 — — 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 (3 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-20190185456-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF POLRMT, EIF2AK2, POLM JAK2 2144/4885BTK 1212/4885PKM 2119/4885
US-10597390-B2 Indoles for use in influenza virus infection IDO1, IDO2, INMT JAK2 457/4885BTK 1980/4885PKM 1937/4885
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION IDO1, IDO2, INMT JAK2 457/4885BTK 1980/4885PKM 1937/4885

“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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