SCHEMBL15068032

SCHEMBL15068032

CN(C)C1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 3/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
HTR6 P50406 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TRPV4 Q9HBA0 1/20 0.41
ATR Q13535 1/20 0.41
USP5 P45974 1/20 0.41
BRD4 O60885 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 1/20 0.40
HSD11B1 P28845 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6110503 0.83 TSHR (0.45) MCOLN3POLBTSHRPIK3CDPIK3CB
SCHEMBL6034697 0.83 USP5 (0.49) TSHRHTR6ALDH1A1JAK2JAK1
SCHEMBL6112349 0.81 PKM (0.45) TSHRPIK3CDPIK3CBPIK3CGHTR6
SCHEMBL15067626 0.78 MCOLN3 (0.50) MCOLN3POLBTSHRHPGDALDH1A1
SCHEMBL25275308 0.75 ALDH1A1 (0.56) MCOLN3POLBTSHRALDH1A1HSD17B10
SCHEMBL15067563 0.75 ALDH1A1 (0.60) MCOLN3POLBTSHRALDH1A1HSD17B10
SCHEMBL30466345 0.75 ALDH1A1 (0.56) MCOLN3POLBTSHRALDH1A1HSD17B10
SCHEMBL29779558 0.74 L3MBTL1 (0.50) MCOLN3TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL31454265 0.73 USP5 (0.57) MCOLN3POLBTSHRALDH1A1USP5
SCHEMBL2952901 0.72 MAPT (0.49) TSHRPIK3CDPIK3CBPIK3CGALDH1A1

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 9 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
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 MCOLN3 3187/4885POLB 1373/4885TSHR 2219/4885
US-20140162971-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 MCOLN3 3187/4885POLB 1373/4885TSHR 2219/4885
US-20230158039-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 MCOLN3 3187/4885POLB 1373/4885TSHR 2219/4885
US-20160143916-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 MCOLN3 3187/4885POLB 1373/4885TSHR 2219/4885
US-20210236508-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 MCOLN3 3187/4885POLB 1373/4885TSHR 2219/4885

“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.