SCHEMBL885089

SCHEMBL885089

CC(=O)NC[C@H](O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.68
NPC1 O15118 5/20 0.66
RAB9A P51151 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
MTNR1A P48039 3/20 0.60
MTNR1B P49286 3/20 0.60
KDM4E B2RXH2 2/20 0.60
TAAR1 Q96RJ0 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
ASAH1 Q13510 1/20 0.58
LMNA P02545 2/20 0.55
AOC3 Q16853 3/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL50338 1.00 BCAT2 (0.68) BCAT2NPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL885090 1.00 BCAT2 (0.68) BCAT2NPC1RAB9ASMN1; SMN2MTNR1A
Acetic Acid SCHEMBL8330086 0.98 BCAT2 (0.66) BCAT2NPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL2091812 0.84 MTNR1A (0.67) BCAT2NPC1RAB9AMTNR1AMTNR1B
SCHEMBL1520684 0.84 BCAT2 (0.72) BCAT2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL26906281 0.84 BCAT2 (0.72) BCAT2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17469083 0.83 NPC1 (0.64) BCAT2NPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL11436581 0.82 MTNR1A (0.62) BCAT2NPC1RAB9ASMN1; SMN2MTNR1A
Acetic Acid SCHEMBL8948216 0.82 KDM4E (0.80) BCAT2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8047567 0.81 SMN1; SMN2 (0.64) BCAT2NPC1RAB9ASMN1; SMN2KDM4E

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
CN-101611005-A Be used as the acetophenones of the replacement of PDE4 inhibitor LEO PHARMA AS (DK) 2009-12-23 CN claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
JP-6100514-A None JP disclosed
JP-6092920-A None JP disclosed
CN-101611005-B Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA AS 2013-11-06 CN disclosed
US-8497380-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2013-07-30 US disclosed
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS FELDING JAKOB (DK) 2013-01-10 US disclosed
US-8324394-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-12-04 US disclosed
US-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION 2012-08-30 US disclosed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed
WO-1998027051-A9 CATALYTIC ASYMMETRIC AMIDOHYDROXYLATION OF OLEFINS WITH N-HALO CARBOXAMIDES 1998-11-12 WO disclosed
WO-1998027051-A2 CATALYTIC ASYMMETRIC AMIDOHYDROXYLATION OF OLEFINS WITH N-HALO CARBOXAMIDES THE SCRIPPS RESEARCH INSTITUTE (US) 1998-06-25 WO disclosed
JP-H06100514-A OPTICALLY ACTIVE @(3754/24)S)-AND (R)-2-ACYLAMINO-1-ARYLETHANOL DERIVATIVE AND THEIR PRODUCTION KAWAKEN FINE CHEM CO LTD 1994-04-12 JP disclosed
JP-H0692920-A OPTICALLY ACTIVE @(3754/24)R)-2-ACYLAMINO-1-ARYLETHANOL DERIVATIVE AND ITS PRODUCTION KAWAKEN FINE CHEM CO LTD 1994-04-05 JP disclosed
JP-H00692920-A 0001-01-01 JP 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 (3 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-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCD, SCD5, CPT1A BCAT2 689/4885NPC1 582/4885RAB9A 2573/4885
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B BCAT2 3563/4885NPC1 2847/4885RAB9A 4359/4885
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE3B, PDE5A BCAT2 3830/4885NPC1 2749/4885RAB9A 4486/4885

“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.