SCHEMBL3735922

SCHEMBL3735922

CCOP(=O)(OCC)C(F)(F)c1ccc(CC(N=C(c2ccccc2)c2ccccc2)C(=O)OC(C)(C)C)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.51
PTPN1 P18031 6/20 0.44
PTPN2 P17706 4/20 0.44
SLC7A5 Q01650 1/20 0.32
EPHX2 P34913 3/20 0.32
PPARG P37231 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MLYCD O95822 1/20 0.31
ITGA4 P13612 1/20 0.30
ITGB7 P26010 1/20 0.30

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
SCHEMBL3735475 1.00 AAK1 (0.51) AAK1PTPN1PTPN2SLC7A5EPHX2
SCHEMBL3733220 1.00 AAK1 (0.51) AAK1PTPN1PTPN2SLC7A5EPHX2
SCHEMBL3733222 0.85 AAK1 (0.48) AAK1PTPN1PTPN2SLC7A5EPHX2
SCHEMBL3750181 0.82 AAK1 (0.58) AAK1PTPN1PTPN2SLC7A5PPARG
SCHEMBL3750184 0.82 AAK1 (0.58) AAK1PTPN1PTPN2SLC7A5PPARG
SCHEMBL19088485 0.79 AAK1 (0.57) AAK1PTPN1PTPN2SLC7A5PPARG
SCHEMBL18256471 0.79 AAK1 (0.57) AAK1PTPN1PTPN2SLC7A5PPARG
SCHEMBL3735684 0.77 POLB (0.38) PTPN1PTPN2MLYCDITGA4ITGB7
SCHEMBL977220 0.77 AAK1 (0.61) AAK1SLC7A5PPARGITGA4ITGB7
SCHEMBL14450414 0.76 PTPN1 (0.49) PTPN1PTPN2EPHX2PPARG

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 AAK1 649/4885PTPN1 2/4885PTPN2 5/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 AAK1 649/4885PTPN1 2/4885PTPN2 5/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 AAK1 649/4885PTPN1 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.