SCHEMBL15067936

SCHEMBL15067936

CN(c1ncc(S(N)(=O)=O)cc1Br)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
JAK3 P52333 5/20 0.36
JAK2 O60674 4/20 0.36
S1PR1 P21453 2/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
CA3 P07451 1/20 0.36
FFAR2 O15552 1/20 0.36
JAK1 P23458 4/20 0.34
TYK2 P29597 1/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL1699999 0.91 FFAR2 (0.41) ALDH1A1HTTJAK3JAK2S1PR1
SCHEMBL1700272 0.77 FFAR2 (0.43) JAK3JAK2S1PR1CA1CA2
SCHEMBL1700294 0.74 FFAR2 (0.39) JAK3JAK2S1PR1CA2FFAR2
SCHEMBL27849915 0.73 CA2 (0.39) ALDH1A1JAK3JAK2S1PR1CA1
SCHEMBL1700565 0.73 CA2 (0.39) ALDH1A1JAK3JAK2S1PR1CA1
SCHEMBL1700340 0.73 CA2 (0.39) ALDH1A1JAK3JAK2S1PR1CA1
SCHEMBL1700915 0.73 SMN1; SMN2 (0.41) ALDH1A1HTTJAK3JAK2S1PR1
SCHEMBL15067797 0.73 CA2 (0.46) ALDH1A1S1PR1CA1CA2CA9
SCHEMBL30366002 0.73 APLNR (0.45) JAK3JAK2S1PR1CA1CA2
SCHEMBL27991133 0.73 APLNR (0.45) JAK3JAK2S1PR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158039-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2023-05-25 US disclosed
US-20210236508-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-08-05 US disclosed
US-20180296566-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
EP-2797918-B1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2017-11-29 EP disclosed
CN-106986872-A Bromine domain inhibitor 艾伯维公司 2017-07-28 CN disclosed
CN-104136435-B bromodomain inhibitors 艾伯维公司 2017-05-10 CN disclosed
US-20160143916-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2016-05-26 US disclosed
US-9296741-B2 Bromodomain inhibitors ABBVIE INC. (US) 2016-03-29 US disclosed
EP-2797918-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2014-11-05 EP disclosed
US-20140162971-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-06-12 US disclosed
WO-2013097601-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2013-07-04 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 (5 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-20180296566-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 ALDH1A1 1794/4885HTT 2644/4885JAK3 732/4885
US-20140162971-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 ALDH1A1 1794/4885HTT 2644/4885JAK3 732/4885
US-20230158039-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 ALDH1A1 1794/4885HTT 2644/4885JAK3 732/4885
US-20160143916-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 ALDH1A1 1794/4885HTT 2644/4885JAK3 732/4885
US-20210236508-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 ALDH1A1 1794/4885HTT 2644/4885JAK3 732/4885

“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.