SCHEMBL16013308

SCHEMBL16013308

COc1ccc(Br)cc1S(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.61
DRD2 P14416 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
CCR8 P51685 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50
USP30 Q70CQ3 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
SFRP1 Q8N474 2/20 0.48
BRD4 O60885 1/20 0.48
TP53 P04637 1/20 0.47
CASP1 P29466 1/20 0.47
NR1H2 P55055 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL8009703 0.94 STS (0.56) STSDRD2ADRA1DADRA1AADRA1B
SCHEMBL17394215 0.92 STS (0.53) STSCCR8ALDH1A1USP30KDM4E
SCHEMBL4732371 0.89 SFRP1 (0.50) STSCCR8ALDH1A1USP30KDM4E
SCHEMBL16013130 0.87 L3MBTL1 (0.54) DRD2ADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL14834191 0.85 DRD2 (0.49) STSDRD2ADRA1DADRA1AADRA1B
SCHEMBL3806306 0.83 CTSL (0.52) DRD2ADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL4735919 0.83 MCHR1 (0.51) STSCCR8ALDH1A1USP30KDM4E
SCHEMBL8009270 0.82 STS (0.71) STSDRD2ADRA1DADRA1AADRA1B
SCHEMBL7982132 0.82 STS (0.57) STSCCR8L3MBTL1ALDH1A1USP30
SCHEMBL16124960 0.82 CCR8 (0.52) STSCCR8L3MBTL1ALDH1A1USP30

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
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
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
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

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 STS 3637/4885DRD2 4306/4885ADRA1D 3398/4885

“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.