SCHEMBL620281

SCHEMBL620281

CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)O)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.65
SLC6A5 Q9Y345 3/20 0.59
KCNH2 Q12809 2/20 0.58

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
SCHEMBL31465294 1.00 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2
SCHEMBL30782446 1.00 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2
SCHEMBL2827679 1.00 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2
SCHEMBL1812681 1.00 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2
SCHEMBL24327985 0.89 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2
SCHEMBL30782440 0.89 SLC6A9 (0.65) SLC6A9SLC6A5KCNH2
SCHEMBL13618780 0.88 SLC6A9 (0.60) SLC6A9SLC6A5KCNH2
SCHEMBL2825210 0.87 SLC6A9 (0.62) SLC6A9SLC6A5KCNH2
SCHEMBL14683591 0.87 SLC6A9 (0.51) SLC6A9SLC6A5KCNH2
SCHEMBL2825561 0.87 SLC6A9 (0.51) SLC6A9SLC6A5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4577540-A1 A SCALABLE PROCESS FOR THE PREPARATION OF A GLYT-1 INHIBITOR Boehringer Ingelheim International GmbH (DE) 2025-07-02 EP disclosed
US-20240083889-A1 Scalable process for the preparation of a GlyT-1 Inhibitor BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2024-03-14 US disclosed
WO-2024042043-A1 A SCALABLE PROCESS FOR THE PREPARATION OF A GLYT-1 INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-02-29 WO disclosed
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
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
CN-104628679-A New synthesis method and intermediate of Bitopertin JIANGSU NHWA PHARMACEUTICAL CO LTD 2015-05-20 CN disclosed
CN-104628679-A New synthesis method and intermediate of Bitopertin JIANGSU NHWA PHARMACEUTICAL CO LTD 2015-05-20 CN 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-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
EP-1838308-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-Roche AG (CH) 2007-10-03 EP disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
US-7220744-B2 Monocyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2007-05-22 US disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 US disclosed
WO-2006079467-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F. HOFMANN-LA ROCHE AG (CH) 2006-08-03 WO disclosed
US-20060167009-A1 Monocyclic substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 US 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-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

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-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 SLC6A9 1024/4885SLC6A5 639/4885KCNH2 1197/4885
US-20240083889-A1 Scalable process for the preparation of a GlyT-1 Inhibitor GLRA1, AGXT, GLRA3 SLC6A9 28/4885SLC6A5 19/4885KCNH2 863/4885
US-20060167009-A1 Monocyclic substituted phenyl methanones SLC1A2, SULT2A1, SLC6A5 SLC6A9 23/4885SLC6A5 3/4885KCNH2 1808/4885

“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.