SCHEMBL5507203

SCHEMBL5507203

CC(C)OC(=O)OCCOP(=O)(O)C(F)(F)c1cc[c]cc1Br

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
PTPN2 P17706 2/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL5507197 0.82 PTPN1 (0.33) PTPN1
SCHEMBL5507260 0.81 PTPN2 (0.34) PTPN1PTPN2IDO1
SCHEMBL5998435 0.70 PTPN2 (0.35) PTPN2
SCHEMBL4900949 0.70 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL16343790 0.65 TSHR (0.33)
SCHEMBL14266790 0.63 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL5507258 0.62 PTPN1 (0.37) PTPN1PTPN2
SCHEMBL13133071 0.61 TSHR (0.46)
SCHEMBL5508634 0.61 ALDH1A1 (0.42) PTPN1PTPN2
SCHEMBL29728733 0.61 TSHR (0.34)

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
EP-1786421-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-05-23 EP claimed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 WO claimed
EP-1786421-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-05-23 EP disclosed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 WO disclosed