SCHEMBL19869971

SCHEMBL19869971

COc1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OC)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
LMNA P02545 2/20 0.65
POLB P06746 1/20 0.65
TSHR P16473 3/20 0.63
TGM2 P21980 9/20 0.58
F13A1 P00488 8/20 0.58
TGM1 P22735 5/20 0.58
MAPT P10636 1/20 0.47
TGM3 Q08188 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPBWR1 P48145 1/20 0.46

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
SCHEMBL19869960 0.85 TGM2 (0.65) GAALMNAPOLBTSHRTGM2
SCHEMBL16013381 0.85 GAA (0.65) GAALMNAPOLBTSHRTGM2
SCHEMBL19869948 0.79 TSHR (0.76) GAALMNAPOLBTSHRMAPT
SCHEMBL2512179 0.78 TGM2 (0.55) TGM2F13A1TGM1TGM3ALDH1A1
SCHEMBL10042199 0.77 EPHX2 (0.53) GAATGM2F13A1TGM1MAPT
SCHEMBL5440864 0.77 TGM2 (0.57) TGM2F13A1TGM1TGM3ALDH1A1
SCHEMBL19869951 0.76 PKM (0.47) LMNAPOLBTSHRALDH1A1
SCHEMBL19869959 0.76 BRD4 (0.47) GAALMNAPOLBTSHRTGM2
SCHEMBL31399732 0.75 ALDH1A1 (0.65) GAALMNATSHRTGM2F13A1
SCHEMBL2818818 0.75 TGM2 (0.50) GAAPOLBTGM2F13A1TGM1

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 GAA 4237/4885LMNA 1902/4885POLB 914/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 GAA 4152/4885LMNA 1745/4885POLB 958/4885

“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.