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SCHEMBL3735684

SCHEMBL3735684

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTPN1 P18031 6/20 0.38
▸ PTPN2 P17706 4/20 0.38
▸ ITGA4 P13612 2/20 0.33
▸ ITGB7 P26010 2/20 0.33
▸ MLYCD O95822 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGAV P06756 1/20 0.32
▸ MMP1 P03956 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP9 P14780 1/20 0.31

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
SCHEMBL3739161 0.89 PTPN1 (0.42) POLBMEN1KMT2APTPN1PTPN2
SCHEMBL3735632 0.88 PTPN1 (0.39) POLBMEN1KMT2APTPN1PTPN2
SCHEMBL3735475 0.77 AAK1 (0.51) PTPN1PTPN2ITGA4ITGB7MLYCD
SCHEMBL3735922 0.77 AAK1 (0.51) PTPN1PTPN2ITGA4ITGB7MLYCD
SCHEMBL3733220 0.77 AAK1 (0.51) PTPN1PTPN2ITGA4ITGB7MLYCD
SCHEMBL14450414 0.75 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL13041689 0.75 PTPN1 (0.37) POLBPTPN1PTPN2
SCHEMBL3738761 0.75 CA2 (0.41) PTPN1MAPTTDP1
SCHEMBL14450422 0.75 PTPN1 (0.44) MEN1KMT2APTPN1PTPN2
SCHEMBL29758794 0.75 PTPN1 (0.52) PTPN1PTPN2

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 POLB 2599/4885MEN1 3695/4885KMT2A 2684/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 POLB 2599/4885MEN1 3695/4885KMT2A 2684/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 POLB 2599/4885MEN1 3695/4885KMT2A 2684/4885

“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.