SCHEMBL3737596

SCHEMBL3737596

CCOP(=O)(OCC)C(F)(F)c1ccc(CCC(=O)OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
MLYCD O95822 2/20 0.43
PTPN1 P18031 3/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
CYP4Z1 Q86W10 1/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 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
SCHEMBL3740693 0.86 FFAR1 (0.46) EPHX2PTPN1PTPN2PTPN6PTPN11
SCHEMBL13372416 0.83 PTPN1 (0.62) PTPN1PTPN2PTPN6PTPN11
SCHEMBL853787 0.78 FFAR1 (0.54) MLYCDCYP4F2CYP4A11PLAAT3PLAAT5
SCHEMBL5893048 0.78 RXRA (0.46) EPHX2PTPN1GAA
SCHEMBL7221428 0.76 EPHX2 (0.53) EPHX2CYP4F2CYP4A11ADRB2ADRB1
Hydrochloric Acid SCHEMBL5165752 0.76 PTPN1 (0.41) PTPN1PTPN2PTPN6PTPN11
SCHEMBL7598722 0.76 PTPN1 (0.39) PTPN1PTPN2PTPN6PTPN11
SCHEMBL14076471 0.76 PTPN1 (0.39) PTPN1PTPN2PTPN6PTPN11
SCHEMBL7182139 0.76 PTPN1 (0.39) PTPN1PTPN2PTPN6PTPN11IDO1
SCHEMBL5162409 0.76 PTPN1 (0.39) PTPN1PTPN2PTPN6PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829737-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2010-11-09 US disclosed
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2009-05-21 US disclosed
US-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 US disclosed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 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-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 EPHX2 2228/4885MLYCD 2586/4885PTPN1 2/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 EPHX2 2228/4885MLYCD 2586/4885PTPN1 2/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 EPHX2 2228/4885MLYCD 2586/4885PTPN1 2/4885

“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.