SCHEMBL3732029

SCHEMBL3732029

CCOP(=O)(OCC)C(F)(F)c1ccc(CN2CC=CC2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
PTPN1 P18031 7/20 0.34
PTPN2 P17706 3/20 0.34
HTT P42858 1/20 0.33
PTPRC P08575 1/20 0.32
RORC P51449 1/20 0.32
SSTR5 P35346 1/20 0.31
NR1H2 P55055 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
FAAH O00519 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
SCHEMBL3748551 0.88 KDM4E (0.41) KDM4EPTPN2HTTALDH1A1TSHR
SCHEMBL3742667 0.88 KDM4E (0.41) KDM4EHTTALDH1A1TSHR
SCHEMBL3742012 0.87 KDM4E (0.40) KDM4EHTTALDH1A1TSHR
SCHEMBL3740731 0.86 ALDH1A1 (0.43) KDM4ENR1H2ALDH1A1
SCHEMBL3746463 0.85 HTT (0.51) KDM4EHTTALDH1A1TSHR
SCHEMBL4119750 0.82 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL3741679 0.81 PTPN1 (0.41) PTPN1PTPN2PTPRC
SCHEMBL3733049 0.81 PTPN1 (0.38) PTPN1PTPN2PTPRC
Bromide SCHEMBL3738144 0.81 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL27696008 0.80 PTPN1 (0.40) PTPN1PTPN2PTPRC

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 KDM4E 2075/4885PTPN1 2/4885PTPN2 5/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 KDM4E 2075/4885PTPN1 2/4885PTPN2 5/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 KDM4E 2075/4885PTPN1 2/4885PTPN2 5/4885

“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.