SCHEMBL2828683

SCHEMBL2828683

CC(C)COc1ccc(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
SLC6A9 P48067 2/20 0.51
S1PR3 Q99500 1/20 0.50
KCNH2 Q12809 2/20 0.49
XDH P47989 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.45
BRD4 O60885 1/20 0.44
DHODH Q02127 2/20 0.44
SYK P43405 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 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
SCHEMBL6630760 0.86 SLC6A9 (0.49) LMNASLC6A9KCNH2XDHPTGDR2
SCHEMBL4420113 0.85 S1PR3 (0.47) LMNASLC6A9S1PR3XDHSLC22A12
SCHEMBL2574654 0.84 S1PR3 (0.57) LMNASLC6A9S1PR3KCNH2PTGDR2
SCHEMBL5043166 0.83 S1PR3 (0.45) SLC6A9S1PR3KCNH2XDHSLC22A12
SCHEMBL6630953 0.81 S1PR3 (0.65) LMNASLC6A9S1PR3KCNH2PTGDR2
SCHEMBL1097386 0.81 LMNA (0.55) LMNASLC6A9S1PR3KCNH2AKR1C3
SCHEMBL20443156 0.81 BRD4 (0.46) LMNASLC6A9KCNH2XDHPTGDR2
SCHEMBL4130038 0.80 S1PR3 (0.71) LMNASLC6A9S1PR3KCNH2PTGDR2
SCHEMBL2825627 0.80 LMNA (0.51) LMNASLC6A9S1PR3KCNH2PTGDR2
SCHEMBL4421524 0.80 S1PR3 (0.56) LMNASLC6A9S1PR3KCNH2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739615-B1 PHENYL-3-AZA-BICYCLO[3.1.0]HEX-3-YL-METHANONES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2017-03-15 EP disclosed
US-9012489-B2 Phenyl-3-aza-bicyclo[3.1.0]hex-3-yl-methanones and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-21 US disclosed
US-9012489-B2 Phenyl-3-aza-bicyclo[3.1.0]hex-3-yl-methanones and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-21 US disclosed
US-20130197011-A1 Phenyl-3-aza-bicyclo[3.1.0]hex-3-yl-methanones and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20130197011-A1 Phenyl-3-aza-bicyclo[3.1.0]hex-3-yl-methanones and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
WO-2013017657-A1 PHENYL-3-AZA-BICYCLO[3.1.0]HEX-3-YL-METHANONES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-07 WO disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
CN-101119968-B Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE 2011-08-31 CN disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
WO-2006063709-A1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 US disclosed
US-20060128713-A1 (6-Chloro-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyridin-2-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone; glyicne transporter 1 (GlyT-1) and N-methyl-D-aspartate (NMDA) receptors inhibitor; psychoses, schizophrenia, attention deficit disorders, Alzheimer's disease; cognition activator HOFFMANN-LA ROCHE INC. 2006-06-15 US disclosed
WO-2006061135-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO disclosed
EP-1368352-B1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LTD (GB) 2004-12-01 EP disclosed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
EP-1368352-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2003-12-10 EP disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 US disclosed
WO-2002074774-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2002-09-26 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 (4 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-20060128713-A1 (6-Chloro-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyridin-2-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone; glyicne transporter 1 (GlyT-1) and N-methyl-D-aspartate (NMDA) receptors inhibitor; psychoses, schizophrenia, attention deficit disorders, Alzheimer's disease; cognition activator GRIN1, GRIA1, GRM1 LMNA 4450/4885SLC6A9 57/4885S1PR3 2765/4885
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HTR5A, NPY5R, GRM5 LMNA 2958/4885SLC6A9 4053/4885S1PR3 745/4885
US-20130197011-A1 Phenyl-3-aza-bicyclo[3.1.0]hex-3-yl-methanones and the use thereof as medicament SLC1A1, SLC1A3, SLC1A2 LMNA 4350/4885SLC6A9 24/4885S1PR3 2460/4885
US-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A LMNA 2151/4885SLC6A9 3970/4885S1PR3 605/4885

“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.