SCHEMBL17518589

SCHEMBL17518589

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

nearest known ligand 0.35

Predicted protein targets (top 19)

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
▸ HTR6 P50406 2/20 0.34
▸ ELANE P08246 1/20 0.34
▸ PRTN3 P24158 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ UBE2N P61088 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KLK7 P49862 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL17518496 0.92 JAK2 (0.35) JAK2BTKPKMCA1CA2
SCHEMBL17504500 0.88 KDM1A (0.34) JAK2BTKPKMCA1CA2
SCHEMBL21068128 0.87 JAK2 (0.46) JAK2BTKPKMCA1CA2
SCHEMBL1890130 0.81 KDM4E (0.44) PKMHTR6ELANEPRTN3KDM4E
SCHEMBL1892254 0.80 HTR6 (0.39) PKMHTR6KDM4EUBE2NL3MBTL1
SCHEMBL12011377 0.80 HTR6 (0.43) HTR6KDM4EUBE2NL3MBTL1KLK7
SCHEMBL20576304 0.80 L3MBTL1 (0.34) PKMCA1CA2HTR6ELANE
SCHEMBL1888127 0.79 KDM4E (0.41) PKMHTR6ELANEPRTN3KDM4E
SCHEMBL21058468 0.79 HTR6 (0.39) JAK2BTKPKMHTR6ELANE
SCHEMBL21963548 0.79 KDM4E (0.39) JAK2BTKPKMCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-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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