SCHEMBL1809801

SCHEMBL1809801

COC(=O)c1cc(S(C)(=O)=O)ccc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CA2 P00918 3/20 0.43
PTGS2 P35354 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
STAT6 P42226 1/20 0.41
KCNH2 Q12809 1/20 0.41
BLM P54132 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 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
SCHEMBL1017860 0.87 KDM4E (0.45) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL22917735 0.85 ALDH1A1 (0.46) LMNATSHRALDH1A1CA2SMN1; SMN2
SCHEMBL2642603 0.81 CA2 (0.61) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL8350642 0.81 LMNA (0.47) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL2642601 0.81 LMNA (0.47) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL1815665 0.81 LMNA (0.64) LMNAALDH1A1KDM4EHSD17B10
SCHEMBL2872060 0.80 LMNA (0.68) LMNATSHRALDH1A1PTGS2SMN1; SMN2
SCHEMBL21184279 0.80 LMNA (0.46) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL2513198 0.80 ALDH1A1 (0.57) LMNATSHRALDH1A1CA2PTGS2
SCHEMBL3220624 0.80 SMN1; SMN2 (0.57) LMNATSHRALDH1A1SMN1; 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035371-B1 SUBSTITUTED PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYT1 AND GLYT2 RECEPTOR INHIBITORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP 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
US-7951836-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-31 US 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-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20070299071-A1 Substituted phenyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 US disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
CN-1878554-A 1-benzoyl-piperazine derivatives as glycine uptake inhibitors for the treatment of psychoses HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
EP-1703909-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-09-27 EP 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
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
US-20050059668-A1 Substituted acylpiperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 US disclosed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 LMNA 1835/4885TSHR 1683/4885ALDH1A1 52/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 LMNA 1835/4885TSHR 1683/4885ALDH1A1 52/4885
US-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 LMNA 4830/4885TSHR 4468/4885ALDH1A1 395/4885
US-20070299071-A1 Substituted phenyl methanone derivatives CYP11B1, CYP11B2, MC2R LMNA 1425/4885TSHR 1840/4885ALDH1A1 336/4885

“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.