SCHEMBL19869959

SCHEMBL19869959

COc1cc(S(=O)(=O)NC2CN(C(=O)OC(C)(C)C)C2)c(OC)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
STS P08842 2/20 0.46
PDE4B Q07343 2/20 0.43
EHMT2 Q96KQ7 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NR1H2 P55055 1/20 0.41
ALPL P05186 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL8009703 0.78 STS (0.56) BRD4STSPDE4BL3MBTL1USP30
SCHEMBL19869971 0.76 GAA (0.65) TSHRPOLBLMNAGAAF13A1
SCHEMBL17394215 0.75 STS (0.53) BRD4STSNR1H2F13A1TGM2
SCHEMBL16013308 0.75 STS (0.61) BRD4STSLMNANR1H2L3MBTL1
SCHEMBL8009270 0.74 STS (0.71) BRD4STSPDE4BMMP1MMP3
SCHEMBL7982132 0.74 STS (0.57) BRD4STSPDE4BL3MBTL1USP30
SCHEMBL856621 0.74 HSD17B10 (0.63) BRD4POLBLMNAGAAUSP30
SCHEMBL3808379 0.73 STS (0.56) BRD4STSPDE4BLMNAL3MBTL1
SCHEMBL8053635 0.73 CTSL (0.52) STSGAANR1H2ALPLL3MBTL1
SCHEMBL19871842 0.73 PDE4B (0.45) BRD4STSPDE4BEHMT2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US 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 (2 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-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 BRD4 5/4885STS 3806/4885PDE4B 1785/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 BRD4 6/4885STS 3640/4885PDE4B 1637/4885

“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.