SCHEMBL3736646

SCHEMBL3736646

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CCNC(=O)CCc2ccccc2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
NCOR2 Q9Y618 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL3738515 0.95 TRPV1 (0.47) LMNAHPGDTRPV1HDAC3HDAC1
SCHEMBL3737791 0.94 TRPV1 (0.44) LMNAHPGDTRPV1HDAC3HDAC1
SCHEMBL3737636 0.92 CA1 (0.42) LMNAHPGDPTPN2PTPN1HDAC3
SCHEMBL3745494 0.88 PTPN2 (0.45) LMNAPTPN2PTPN1HDAC3HDAC1
SCHEMBL3735483 0.87 PTPN1 (0.43) LMNAKDM4EHPGDPTPN2PTPN1
SCHEMBL3746396 0.84 PTPN1 (0.51) LMNAKDM4EHPGDTRPV1PTPN2
SCHEMBL3738765 0.84 CA2 (0.41) LMNAPTPN2PTPN1TDP1MAPT
SCHEMBL3745595 0.83 KMT2A (0.40) PTPN2PTPN1HDAC1HDAC6MEN1
SCHEMBL3735418 0.83 PTPN1 (0.37) PTPN2PTPN1
SCHEMBL3745593 0.83 PTPN1 (0.43) 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 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 LMNA 4192/4885KDM4E 2075/4885HPGD 2820/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 LMNA 4192/4885KDM4E 2075/4885HPGD 2820/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 LMNA 4192/4885KDM4E 2075/4885HPGD 2820/4885

“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.