SCHEMBL1815665

SCHEMBL1815665

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
ENPP2 Q13822 2/20 0.41
MAPK1 P28482 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL1018520 0.85 LMNA (0.59) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25284670 0.84 LMNA (0.57) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10623593 0.83 HSD17B10 (0.62) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8962352 0.82 LMNA (0.70) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30602785 0.81 LMNA (0.46) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30602792 0.81 LMNA (0.45) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1809801 0.81 LMNA (0.46) LMNAALDH1A1KDM4EHSD17B10
SCHEMBL28056512 0.81 SMN1; SMN2 (0.47) LMNAALDH1A1HSD17B10AKR1C3AKR1C2
SCHEMBL35247 0.79 LMNA (0.66) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4419627 0.79 ALDH1A1 (0.68) LMNAALDH1A1KDM4EHPGDHSD17B10

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 75 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
CN-1874777-B 1-(2-amino-benzoyl)-piperazine derivatives as glycine uptake inhibitors for the treatment of psychoses HOFFMANN LA ROCHE 2012-07-04 CN 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-101146808-B Phenyl methanone derivatives and their use as glycine transporter 1 inhibitors HOFFMANN LA ROCHE 2011-10-12 CN disclosed
CN-101119968-B Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE 2011-08-31 CN disclosed
CN-101472886-B Substituted phenyl methanone derivatives HOFFMANN LA ROCHE 2011-07-13 CN disclosed
CN-1867554-B Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE 2011-07-06 CN disclosed
US-7951836-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-31 US disclosed
EP-1663232-A1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 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-2005023260-A1 1- (2-AMINO-BENZOL) -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
WO-2005023260-A1 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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 (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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 LMNA 4719/4885ALDH1A1 1436/4885KDM4E 2701/4885
US-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 LMNA 4830/4885ALDH1A1 395/4885KDM4E 1377/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT LMNA 4692/4885ALDH1A1 582/4885KDM4E 1532/4885

“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.