SCHEMBL15067797

SCHEMBL15067797

CN(c1ccc(S(N)(=O)=O)cc1Br)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.46
CA1 P00915 14/20 0.46
CA9 Q16790 6/20 0.46
CA7 P43166 6/20 0.46
CA12 O43570 5/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA3 P07451 1/20 0.38
S1PR1 P21453 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL26983359 0.81 MAPT (0.46) ALDH1A1
SCHEMBL1700396 0.76 ALDH1A1 (0.42) CA2CA1CA9CA7CA12
SCHEMBL1956217 0.76 CA2 (0.47) CA2CA1CA9CA12ALDH1A1
SCHEMBL27895776 0.75 CA2 (0.58) CA2CA1CA9CA7CA12
SCHEMBL1700045 0.75 CA2 (0.42) CA2CA1CA9CA7CA12
SCHEMBL1700343 0.75 PTGS1 (0.43) CA2CA1CA9CA7CA12
SCHEMBL27906253 0.74 CA2 (0.49) CA2CA1CA9CA12ALDH1A1
SCHEMBL1700682 0.74 CA2 (0.49) CA2CA1CA9CA12ALDH1A1
SCHEMBL27671287 0.74 ALDH1A1 (0.53) CA2CA1CA9CA12S1PR1
SCHEMBL1700441 0.73 CA2 (0.47) CA2CA1CA9CA12ALDH1A1

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 CA2 2735/4885CA1 1571/4885CA9 2823/4885
US-20140162971-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 CA2 2735/4885CA1 1571/4885CA9 2823/4885
US-20230158039-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 CA2 2735/4885CA1 1571/4885CA9 2823/4885
US-20160143916-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 CA2 2735/4885CA1 1571/4885CA9 2823/4885
US-20210236508-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 CA2 2735/4885CA1 1571/4885CA9 2823/4885

“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.