SCHEMBL5744959

SCHEMBL5744959

CN(CC(=O)O)S(=O)(=O)C1(c2c(Cc3ccccc3)oc3ccccc23)C=CC(c2ccccc2)=CC1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
PTPN1 P18031 15/20 0.33
PTPRF P10586 1/20 0.31
PTPRA P18433 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
MAPT P10636 1/20 0.31
ADAMTS4 O75173 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL4275279 0.86 PTPN1 (0.36) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL5742826 0.85 MTNR1A (0.38) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL4264638 0.81 MMP2 (0.42) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL5744955 0.73 MTNR1A (0.35) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL5743849 0.69 TAS2R14 (0.35) MTNR1AMTNR1BPTPN1DUSP3
SCHEMBL4260729 0.67 PTPN1 (0.35) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL4267918 0.66 PTPN1 (0.36) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL4263457 0.66 PTPN1 (0.39) MTNR1AMTNR1BPTPN1PTPRFPTPRA
SCHEMBL5743012 0.65 PTPN1 (0.35) PTPN1MAPTMMP2MMP13
SCHEMBL4800199 0.64 PTPN1 (0.38) MTNR1AMTNR1BPTPN1PTPRFPTPRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006525365-A 2006-11-09 JP claimed
EP-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP claimed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed