SCHEMBL3742676

SCHEMBL3742676

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CN2CCCC2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
MCHR1 Q99705 1/20 0.36
FAAH O00519 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL3742019 0.99 KDM4E (0.37) KDM4EPTPN2PTPN1MCHR1FAAH
SCHEMBL3748555 0.98 KDM4E (0.37) KDM4EPTPN2PTPN1MCHR1FAAH
SCHEMBL3740736 0.92 ALDH1A1 (0.39) KDM4EPTPN2PTPN1FAAHHDAC6
SCHEMBL3746469 0.91 HTT (0.46) HTTRAB9A
SCHEMBL3732032 0.90 PTPN1 (0.37) KDM4EPTPN2PTPN1FAAH
SCHEMBL3736625 0.84 PTPN1 (0.41) PTPN2PTPN1
SCHEMBL3741682 0.84 PTPN1 (0.41) PTPN2PTPN1
SCHEMBL4901320 0.84 POLB (0.38) KDM4EPTPN2PTPN1HDAC1ALDH1A1
SCHEMBL5988010 0.81 PTPN1 (0.49) KDM4EPTPN2PTPN1MCHR1HDAC1
SCHEMBL3743057 0.81 PTPN1 (0.40) PTPN2PTPN1

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 5 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
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US 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 2075/4885PTPN2 5/4885PTPN1 2/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 KDM4E 2075/4885PTPN2 5/4885PTPN1 2/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 KDM4E 2075/4885PTPN2 5/4885PTPN1 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.