SCHEMBL19869964

SCHEMBL19869964

Cc1cc(Br)ccc1S(=O)(=O)N1CC(O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
BRD4 O60885 1/20 0.41
BRD1 O95696 1/20 0.41
BRPF1 P55201 1/20 0.41
BRPF3 Q9ULD4 1/20 0.41
GAA P10253 2/20 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 0.81 ALDH1A1 (0.57) HCRTR1HCRTR2SMN1; SMN2LMNAHTT
SCHEMBL15010193 0.80 L3MBTL1 (0.62) EPHX2HCRTR1HCRTR2SMN1; SMN2LMNA
SCHEMBL14501626 0.78 L3MBTL1 (0.65) EPHX2SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL12626344 0.77 EPHX2 (0.48) EPHX2HCRTR1HCRTR2SMN1; SMN2LMNA
SCHEMBL1156054 0.77 L3MBTL1 (0.65) EPHX2SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL2927007 0.76 ALDH1A1 (0.66) SMN1; SMN2LMNAHTTALDH1A1TSHR
SCHEMBL6110397 0.75 EPHX2 (0.53) EPHX2HCRTR1HCRTR2LMNAMMP1
SCHEMBL2834513 0.75 EPHX2 (0.45) EPHX2HCRTR1HCRTR2SMN1; SMN2LMNA
SCHEMBL2840532 0.75 EPHX2 (0.45) EPHX2HCRTR1HCRTR2SMN1; SMN2LMNA
SCHEMBL19869738 0.74 BRD4 (0.48) BRD4

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 EPHX2 3107/4885HCRTR1 2132/4885HCRTR2 3139/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 EPHX2 2969/4885HCRTR1 2278/4885HCRTR2 3214/4885

“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.