SCHEMBL3737589

SCHEMBL3737589

CCOP(=O)(OCC)C(F)(F)c1ccc(CNC(C)=O)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.56
PDK2 Q15119 1/20 0.44
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTPN2 P17706 2/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
PPID Q08752 1/20 0.36
NOTUM Q6P988 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
SCHEMBL3735481 0.89 PTPN1 (0.44) PTPN1PTPN2ALDH1A1LMNAKDM4E
SCHEMBL3732106 0.88 ALDH1A1 (0.47) PTPN1HDAC1HDAC6PTPN2ALDH1A1
SCHEMBL3743053 0.84 PTPN1 (0.38) PTPN1PTPN2KMT2AMAPTNOTUM
SCHEMBL3736653 0.84 PTPN1 (0.76) PTPN1PDK2HDAC1HDAC6PTPN2
SCHEMBL3741679 0.84 PTPN1 (0.41) PTPN1PDK2PTPN2LMNANOTUM
SCHEMBL13041687 0.82 PDK2 (0.45) PTPN1PDK2PTPN2KMT2AALDH1A1
SCHEMBL13078204 0.82 PTPN1 (0.37) PTPN1PTPN2KMT2ANOTUM
SCHEMBL13041688 0.82 THRB (0.45) PTPN1PTPN2
SCHEMBL7198599 0.81 PTPN1 (0.43) PTPN1PTPN2ALDH1A1LMNAKDM4E
SCHEMBL3733049 0.81 PTPN1 (0.38) PTPN1PTPN2NOTUM

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 PTPN1 2/4885PDK2 818/4885HDAC1 1728/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PTPN1 2/4885PDK2 818/4885HDAC1 1728/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PDK2 818/4885HDAC1 1728/4885

“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.