SCHEMBL3745595

SCHEMBL3745595

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CCN(CC)C(=O)CCc2ccccc2)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
APP P05067 1/20 0.39
PTPN1 P18031 3/20 0.38
PTPN2 P17706 2/20 0.38
CA12 O43570 6/20 0.36
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA4 P22748 4/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MLYCD O95822 3/20 0.35
FDPS P14324 1/20 0.34
MEN1 O00255 1/20 0.34
PPARG P37231 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL3732977 0.93 PTPN1 (0.38) KMT2AAPPPTPN1PTPN2CA12
SCHEMBL3735591 0.86 PTPN1 (0.48) KMT2AAPPPTPN1PTPN2CA12
SCHEMBL3745592 0.83 KMT2A (0.44) KMT2AAPPPTPN1PTPN2CA12
SCHEMBL3736646 0.83 LMNA (0.41) KMT2APTPN1PTPN2HDAC1HDAC6
SCHEMBL3732067 0.83 HTR5A (0.38) PTPN1PTPN2
SCHEMBL3738515 0.82 TRPV1 (0.47) KMT2AHDAC1HDAC6MEN1
SCHEMBL3737791 0.81 TRPV1 (0.44) HDAC1HDAC6
SCHEMBL7595276 0.80 PTPN1 (0.39) PTPN1PTPN2
SCHEMBL7190897 0.79 PTPN1 (0.40) PTPN1PTPN2FDPS
SCHEMBL7182093 0.79 PTPN1 (0.40) PTPN1PTPN2FDPSTHRATHRB

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 KMT2A 2684/4885APP 1654/4885PTPN1 2/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 KMT2A 2684/4885APP 1654/4885PTPN1 2/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 KMT2A 2684/4885APP 1654/4885PTPN1 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.