SCHEMBL15067148

SCHEMBL15067148

CC(C)S(=O)(=O)c1ccc(NCC2CC2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.51
PTGER4 P35408 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ALDH3A1 P30838 1/20 0.42
RORC P51449 1/20 0.40
CNR2 P34972 2/20 0.38
HTR7 P34969 1/20 0.38
CNR1 P21554 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PARG Q86W56 1/20 0.36

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
SCHEMBL15068205 0.85 ALDH1A1 (0.56) BRD4PTGER4ALDH1A1ALDH3A1CNR2
SCHEMBL3996701 0.84 BRD4 (0.51) BRD4PTGER4ALDH1A1ALDH3A1RORC
SCHEMBL15068130 0.83 BRD4 (0.55) BRD4PTGER4ALDH1A1ALDH3A1RORC
SCHEMBL15067799 0.83 BRD4 (0.53) BRD4PTGER4CA1CA2CA9
SCHEMBL3995520 0.81 MEN1 (0.53) BRD4PTGER4ALDH1A1
SCHEMBL4005332 0.76 RORC (0.49) BRD4PTGER4ALDH1A1ALDH3A1RORC
SCHEMBL3998455 0.74 MEN1 (0.54) BRD4ALDH1A1RORC
SCHEMBL4003566 0.74 RORC (0.47) BRD4PTGER4ALDH1A1ALDH3A1RORC
SCHEMBL16658427 0.73 BRD4 (0.42) BRD4RORCCNR2HTR7
SCHEMBL15068117 0.71 BRD4 (0.44) BRD4ALDH1A1ALDH3A1RORCCNR2

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 16 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-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-03-11 US disclosed
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2020-09-17 US disclosed
EP-3539962-A1 TETRACYCLIC BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2019-09-18 EP disclosed
EP-2970330-B1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-04-17 EP disclosed
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
US-20180296566-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
US-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors ABBVIE INC. (US) 2018-07-31 US disclosed
EP-2797918-B1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2017-11-29 EP 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
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC. 2016-02-11 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 (10 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 BRD4 1/4885PTGER4 494/4885ALDH1A1 1794/4885
US-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors BRD1, BRD3, BRD4 BRD4 3/4885PTGER4 122/4885ALDH1A1 332/4885
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885PTGER4 639/4885ALDH1A1 2163/4885
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885PTGER4 639/4885ALDH1A1 2163/4885
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885PTGER4 639/4885ALDH1A1 2163/4885
US-20140162971-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 BRD4 1/4885PTGER4 494/4885ALDH1A1 1794/4885
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 BRD4 2/4885PTGER4 553/4885ALDH1A1 2065/4885
US-20230158039-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 BRD4 1/4885PTGER4 494/4885ALDH1A1 1794/4885
US-20160143916-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 BRD4 1/4885PTGER4 494/4885ALDH1A1 1794/4885
US-20210236508-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 BRD4 1/4885PTGER4 494/4885ALDH1A1 1794/4885

“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.