SCHEMBL19869960

SCHEMBL19869960

COc1cc(Br)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.65
F13A1 P00488 8/20 0.65
TGM1 P22735 5/20 0.65
GAA P10253 2/20 0.52
TGM3 Q08188 1/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.46
BACE1 P56817 1/20 0.46
MAPT P10636 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
SCHEMBL16013381 0.91 GAA (0.65) TGM2F13A1TGM1GAATGM3
SCHEMBL5437122 0.88 TGM2 (0.52) TGM2F13A1TGM1TGM3LMNA
SCHEMBL2226727 0.86 TGM2 (0.64) TGM2F13A1TGM1TGM3LMNA
SCHEMBL14490312 0.85 TGM2 (0.52) TGM2F13A1TGM1TGM3BACE1
SCHEMBL5442111 0.85 TGM2 (0.64) TGM2F13A1TGM1TGM3ALDH1A1
SCHEMBL19869971 0.85 GAA (0.65) TGM2F13A1TGM1GAATGM3
SCHEMBL25176606 0.84 TGM2 (0.51) TGM2F13A1TGM1TGM3LMNA
SCHEMBL2818818 0.83 TGM2 (0.50) TGM2F13A1TGM1GAATGM3
SCHEMBL5442261 0.83 TGM2 (0.52) TGM2F13A1TGM1TGM3ALDH1A1
SCHEMBL18498657 0.83 TGM2 (0.50) TGM2F13A1TGM1TGM3LMNA

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 TGM2 4527/4885F13A1 4141/4885TGM1 3858/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 TGM2 4478/4885F13A1 4033/4885TGM1 3890/4885

“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.