SCHEMBL3738765

SCHEMBL3738765

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.41
CA1 P00915 2/20 0.38
NAMPT P43490 1/20 0.38
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
CTSK P43235 1/20 0.35
IDO1 P14902 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
PDK2 Q15119 1/20 0.34
SYK P43405 1/20 0.34
NQO2 P16083 1/20 0.34
CES2 O00748 1/20 0.34
ESRRG P62508 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
SCHEMBL3735483 0.89 PTPN1 (0.43) PTPN1PTPN2MAPTLMNAESRRG
SCHEMBL13078111 0.87 CA2 (0.40) CA2CA1NAMPTPTPN1PTPN2
SCHEMBL3745494 0.86 PTPN2 (0.45) PTPN1PTPN2MAPTLMNAESRRG
SCHEMBL27715910 0.85 PTPN1 (0.47) CA2CA1NAMPTPTPN1PTPN2
SCHEMBL3735418 0.84 PTPN1 (0.37) PTPN1PTPN2ESRRG
SCHEMBL3736646 0.84 LMNA (0.41) PTPN1PTPN2MAPTTDP1LMNA
SCHEMBL3737649 0.83 PTPN1 (0.37) PTPN1PTPN2ESRRG
SCHEMBL3737636 0.83 CA1 (0.42) CA2CA1PTPN1PTPN2MAPT
SCHEMBL3738515 0.82 TRPV1 (0.47) LMNA
SCHEMBL3738761 0.82 CA2 (0.41) CA2CA1NAMPTPTPN1CTSK

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 CA2 4174/4885CA1 4190/4885NAMPT 3185/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 CA2 4174/4885CA1 4190/4885NAMPT 3185/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 CA2 4174/4885CA1 4190/4885NAMPT 3185/4885

“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.