SCHEMBL2889394

SCHEMBL2889394

COC(=O)c1c(OCCCCNC(=O)C=Cc2cc(F)c(N3CC(=O)NS3(=O)=O)c(OCc3ccccc3)c2)cccc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.40
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX5 P09917 1/20 0.37
HPGD P15428 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL2893330 0.81 KDM4E (0.45) APPALDH1A1KDM4EHPGD
SCHEMBL3921557 0.79 KDM4E (0.41) APPALDH1A1KDM4EHPGDHTT
SCHEMBL3921561 0.79 KDM4E (0.41) APPALDH1A1KDM4EHPGDHTT
SCHEMBL2895955 0.77 PTPN1 (0.38) APPALDH1A1KDM4EHPGD
SCHEMBL3915722 0.77 ALDH1A1 (0.35) APPDRD2DRD3ALDH1A1HPGD
SCHEMBL3915717 0.77 ALDH1A1 (0.35) APPDRD2DRD3ALDH1A1HPGD
SCHEMBL3915720 0.77 ALDH1A1 (0.35) APPDRD2DRD3ALDH1A1HPGD
SCHEMBL3915590 0.75 APP (0.47) APPDRD2DRD3ALDH1A1KDM4E
SCHEMBL3915584 0.75 APP (0.47) APPDRD2DRD3ALDH1A1KDM4E
SCHEMBL3918889 0.74 PTPN1 (0.39) DRD2DRD3ALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252820-B2 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as PTP-as inhibitors NOVARTIS AG (CH) 2012-08-28 US disclosed
US-20100035942-A1 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as ptp-as inhibitors NOVARTIS AG (CH) 2010-02-11 US disclosed
EP-1963293-A1 1-ORTHOFLUOROPHENYL SUBSTITUTED 1, 2 , 5-THIAZOLIDINEDIONE DERIVATIVES AS PTP-AS INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067612-A1 1-ORTHOFLUOROPHENYL SUBSTITUTED 1, 2, 5-THIAZOLIDINEDIONE DERIVATIVES AS PTP-AS INHIBITORS NOVARTIS AG (CH) 2007-06-14 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 (1 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-20100035942-A1 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as ptp-as inhibitors PTPRS, PTPRF, PTPRO APP 3473/4885DRD2 3980/4885DRD3 3991/4885

“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.