SCHEMBL19869946

SCHEMBL19869946

COc1cc(S(=O)(=O)N2CC(O)C2)c(OC)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
GAA P10253 4/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 3/20 0.49
NPBWR1 P48145 1/20 0.47
MAPT P10636 1/20 0.45
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.41
MCOLN3 Q8TDD5 2/20 0.41
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL19869952 0.82 ALDH1A1 (0.57) TSHRGAAPOLBLMNAALDH1A1
SCHEMBL19869948 0.78 TSHR (0.76) TSHRGAAPOLBLMNAALDH1A1
SCHEMBL10570472 0.74 TSHR (0.89) TSHRGAAPOLBLMNAALDH1A1
SCHEMBL19869971 0.73 GAA (0.65) TSHRGAAPOLBLMNAALDH1A1
SCHEMBL17843485 0.72 GAA (0.66) TSHRGAALMNAALDH1A1KMT2A
SCHEMBL15916858 0.69 EPHX2 (0.48) TSHRPOLBLMNAALDH1A1MAPT
SCHEMBL19869944 0.68 KDM4E (0.55) TSHRALDH1A1
SCHEMBL19869964 0.68 EPHX2 (0.47) TSHRGAAPOLBLMNAALDH1A1
SCHEMBL2838080 0.66 TSHR (0.47) TSHRGAAPOLBLMNAALDH1A1
SCHEMBL2844943 0.66 TSHR (0.47) TSHRGAAPOLBLMNAALDH1A1

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 TSHR 1340/4885GAA 4237/4885POLB 914/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 TSHR 1182/4885GAA 4152/4885POLB 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.