SCHEMBL2824930

SCHEMBL2824930

CS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.59
KCNH2 Q12809 2/20 0.52
BRD4 O60885 10/20 0.52
LMNA P02545 1/20 0.49
S1PR3 Q99500 1/20 0.48

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
SCHEMBL1813202 0.95 SLC6A9 (0.54) SLC6A9KCNH2BRD4LMNAS1PR3
SCHEMBL5045383 0.86 BRD4 (0.48) SLC6A9KCNH2BRD4LMNAS1PR3
SCHEMBL5043956 0.85 SLC6A9 (0.45) SLC6A9KCNH2BRD4S1PR3
SCHEMBL5043148 0.84 MAPK1 (0.49) SLC6A9LMNAS1PR3
SCHEMBL27990708 0.82 BRD4 (0.54) SLC6A9BRD4
SCHEMBL2828648 0.82 SLC6A9 (0.53) SLC6A9KCNH2BRD4
SCHEMBL16650725 0.82 BRD4 (0.55) SLC6A9BRD4
SCHEMBL2574654 0.81 S1PR3 (0.57) SLC6A9KCNH2LMNAS1PR3
SCHEMBL5041677 0.81 FABP4 (0.45) SLC6A9BRD4LMNAS1PR3
SCHEMBL20155682 0.80 BRD4 (0.59) SLC6A9BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-1838308-B1 [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 HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
EP-1844045-B1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-04 EP disclosed
EP-1844045-B1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-04 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
EP-1828154-B1 PHENYL-PIPERAZIN METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-29 EP disclosed
EP-1836168-B1 BENZOYL-TETRAHYDROPYRIDINE AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-25 EP disclosed
US-7485637-B2 Benzoyl-tetrahydropiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-03 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
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-20060167023-A1 Substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-07-27 US 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
US-20060148797-A1 Benzoyl-tetrahydropiperidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 US disclosed
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 US disclosed
WO-2006061135-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 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 (6 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 SLC6A9 1024/4885KCNH2 1197/4885BRD4 2648/4885
US-20060167023-A1 Substituted phenyl methanones SLC6A7, SLC1A1, SLC26A3 SLC6A9 12/4885KCNH2 977/4885BRD4 2950/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 SLC6A9 1024/4885KCNH2 1197/4885BRD4 2648/4885
US-20060148797-A1 Benzoyl-tetrahydropiperidine derivatives GRIN2A, HTR5A, BACE1 SLC6A9 844/4885KCNH2 1047/4885BRD4 160/4885
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HTR5A, NPY5R, GRM5 SLC6A9 4053/4885KCNH2 228/4885BRD4 453/4885
US-20060167009-A1 Monocyclic substituted phenyl methanones SLC1A2, SULT2A1, SLC6A5 SLC6A9 23/4885KCNH2 1808/4885BRD4 2840/4885

“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.