SCHEMBL16014701

SCHEMBL16014701

COc1cc(Br)ccc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
PIK3C2G O75747 2/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.47
CASP1 P29466 1/20 0.47
PI4KA P42356 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
HTT P42858 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
BRD4 O60885 2/20 0.44
BRD3 Q15059 2/20 0.44

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
SCHEMBL16014703 1.00 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2ALDH1A1MCOLN3PIK3C2G
SCHEMBL17393986 0.90 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2ALDH1A1MCOLN3PIK3C2G
SCHEMBL21760617 0.90 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2ALDH1A1MCOLN3PIK3C2G
SCHEMBL17393987 0.90 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2ALDH1A1MCOLN3PIK3C2G
SCHEMBL2197205 0.84 MCHR1 (0.61) ADRA2ANPY5RMCHR1
SCHEMBL2197208 0.84 MCHR1 (0.61) ADRA2ANPY5RMCHR1
SCHEMBL16727802 0.84 MCHR1 (0.46) L3MBTL1PIK3C2GTP53HTTADRA2A
SCHEMBL25340698 0.82 L3MBTL1 (0.72) L3MBTL1SMN1; SMN2ALDH1A1MCOLN3POLB
SCHEMBL2197567 0.81 SLC6A9 (0.44) L3MBTL1PIK3C2GTP53PI4KAHTT
SCHEMBL2197572 0.81 SLC6A9 (0.44) L3MBTL1PIK3C2GTP53PI4KAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964631-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS Bayer Animal Health GmbH (DE) 2016-01-13 EP claimed
WO-2014135439-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS BAYER CROPSCIENCE AG (DE) 2014-09-12 WO claimed
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
WO-2017108744-A1 NOVEL SUBSTITUTED INDAZOLES, METHODS FOR PRODUCING SAME, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAME, AND USE OF SAME TO PRODUCE DRUGS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-29 WO disclosed
EP-2964631-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS Bayer Animal Health GmbH (DE) 2016-01-13 EP disclosed
EP-2964635-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
WO-2014135439-A1 NOVEL HALOGEN-SUBSTITUTED COMPOUNDS BAYER CROPSCIENCE AG (DE) 2014-09-12 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-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS L3MBTL1 4464/4885SMN1; SMN2 2853/4885ALDH1A1 222/4885

“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.