Sugi Predict

Sugi Predict / Compounds / SCHEMBL16796502

SCHEMBL16796502

SCHEMBL16796502

O=S(=O)(c1ccccc1)n1ccc2c(CCl)cccc21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 20/20 0.71
▸ HTR1A P08908 3/20 0.71
▸ HTR1D P28221 2/20 0.71
▸ HTR1B P28222 2/20 0.71
▸ HTR1F P30939 2/20 0.71
▸ HTR7 P34969 2/20 0.71
▸ DRD3 P35462 2/20 0.71
▸ DRD2 P14416 2/20 0.66
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ BCHE P06276 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HTR2A P28223 1/20 0.52

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
SCHEMBL4029770 0.87 HTR6 (0.72) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3624652 0.85 HTR6 (0.71) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3611374 0.85 HTR6 (0.80) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL7449413 0.85 HTR6 (0.71) HTR6HTR1AHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL3624923 0.84 HTR6 (0.78) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL13504557 0.84 HTR6 (0.69) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3651708 0.83 HTR6 (0.67) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL4023837 0.83 HTR6 (0.76) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL261059 0.83 HTR6 (0.67) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL739877 0.83 HTR6 (1.00) HTR6HTR1AHTR1DHTR1BHTR1F

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207741-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2020-07-02 — — US disclosed
US-20200207741-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2020-07-02 — — US disclosed
US-10640491-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2020-05-05 — — US disclosed
US-10640491-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2020-05-05 — — US disclosed
US-20180305340-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2018-10-25 — — US disclosed
US-10093657-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2018-10-09 — — US disclosed
EP-3080097-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-18 — — EP disclosed
EP-3080097-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-18 — — EP disclosed
CN-105814035-B Bruton's tyrosine kinase inhibitor 豪夫迈·罗氏有限公司 2018-02-02 — — CN disclosed
US-20170183327-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2017-06-29 — — US disclosed
US-9624201-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-04-18 — — US disclosed
US-9624201-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-04-18 — — US disclosed
US-9624201-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-04-18 — — US disclosed
US-20160318907-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2016-11-03 — — US disclosed
US-20160318907-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2016-11-03 — — US disclosed
US-20160318907-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2016-11-03 — — US disclosed
EP-3080097-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-10-19 — — EP disclosed
CN-105814035-A Inhibitors of bruton's tyrosine kinase 豪夫迈·罗氏有限公司 2016-07-27 — — CN disclosed
WO-2015086635-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 — — WO disclosed
WO-2015086635-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 — — 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 (6 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-20170183327-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN HTR6 4290/4885HTR1A 4341/4885HTR1D 4159/4885
US-20180305340-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN HTR6 4290/4885HTR1A 4341/4885HTR1D 4159/4885
US-10093657-B2 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN HTR6 4290/4885HTR1A 4341/4885HTR1D 4159/4885
US-20200207741-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN HTR6 3902/4885HTR1A 4018/4885HTR1D 3918/4885
US-10640491-B2 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN HTR6 4290/4885HTR1A 4341/4885HTR1D 4159/4885
US-20160318907-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN HTR6 4290/4885HTR1A 4341/4885HTR1D 4159/4885

“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.