SCHEMBL882433

SCHEMBL882433

CC(C)(O)Cn1cc(C(=O)O)cn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
FFAR1 O14842 2/20 0.48
ROCK1 Q13464 1/20 0.45
ACHE P22303 2/20 0.42
ALKBH2 Q6NS38 2/20 0.41
HPGDS O60760 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PLA2G4A P47712 1/20 0.38
MAP4K4 O95819 1/20 0.37
ALKBH1 Q13686 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
AR P10275 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TTK P33981 1/20 0.36
XDH P47989 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL31352292 0.82 L3MBTL1 (0.55) L3MBTL1ACHEALKBH2HPGDSHSD17B10
SCHEMBL2148413 0.81 L3MBTL1 (0.57) L3MBTL1ROCK1ACHEALKBH2HPGDS
SCHEMBL882514 0.80 GRM2 (0.44) L3MBTL1FFAR1ROCK1ACHECCNC
SCHEMBL553834 0.78 L3MBTL1 (0.73) L3MBTL1ACHEALKBH2HPGDSHSD17B10
SCHEMBL31681673 0.77 L3MBTL1 (0.67) L3MBTL1ACHEALKBH2HPGDSHSD17B10
Hydrochloric Acid SCHEMBL4758885 0.77 L3MBTL1 (0.71) L3MBTL1ACHEALKBH2HPGDSHSD17B10
SCHEMBL1662636 0.77 FFAR1 (0.51) L3MBTL1FFAR1ROCK1MAP4K4AR
SCHEMBL23852945 0.76 FFAR1 (0.43) FFAR1ROCK1CCNCCDK8
SCHEMBL29954606 0.76 L3MBTL1 (0.65) L3MBTL1ACHEALKBH2HPGDSHSD17B10
SCHEMBL31286462 0.75 L3MBTL1 (0.69) L3MBTL1ACHEALKBH2HPGDSHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641886-B Bicyclic BET bromodomain inhibitors and uses thereof 康威基内有限公司 2022-11-18 CN disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
EP-2619196-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-09-16 EP disclosed
US-8580825-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-8580825-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-27 US disclosed
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-27 US disclosed
WO-2012040137-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 WO 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-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 L3MBTL1 1994/4885FFAR1 198/4885ROCK1 948/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 L3MBTL1 4810/4885FFAR1 1412/4885ROCK1 1/4885

“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.