SCHEMBL17504500

SCHEMBL17504500

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ JAK2 O60674 2/20 0.32
▸ BTK Q06187 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ HTR6 P50406 4/20 0.31
▸ CCR6 P51684 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ UBE2N P61088 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ PRTN3 P24158 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL17518589 0.88 JAK2 (0.35) JAK2BTKPKMCA1CA2
SCHEMBL17518496 0.87 JAK2 (0.35) JAK2BTKPKMCA1CA2
SCHEMBL28478032 0.85 JAK2 (0.33) JAK2BTK
SCHEMBL30088058 0.83 HTR6 (0.45) KDM1AMAOAMAOBKCNH2PKM
SCHEMBL21068128 0.81 JAK2 (0.46) JAK2BTKPKMCA1CA2
SCHEMBL29604711 0.80 CCR6 (0.39) KDM1AMAOAMAOBKCNH2PKM
SCHEMBL31456917 0.80 CCR6 (0.39) KDM1AMAOAMAOBKCNH2PKM
SCHEMBL28478035 0.80 IMPDH2 (0.33) JAK2BTKHTR6ALDH1A1KMT2A
SCHEMBL17504524 0.79 CA1 (0.43) KDM1AMAOAMAOBKCNH2PKM
SCHEMBL16968327 0.79 KDM4E (0.37) 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 5 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
WO-2017125506-A1 ARYL SUBSTITUTED PYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2017-07-27 — — WO disclosed
EP-3177609-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION Janssen Sciences Ireland UC (IE) 2017-06-14 — — EP disclosed
WO-2016020526-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2016-02-11 — — 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 (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 KDM1A 169/4885MAOA 8/4885MAOB 10/4885

“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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