SCHEMBL3746409

SCHEMBL3746409

CCOP(=O)(OCC)C(F)(F)c1ccc(CC(NS(=O)(=O)c2ccccc2)C(=O)NCCCCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
NPY5R Q15761 1/20 0.46
F2 P00734 4/20 0.45
TMPRSS6 Q8IU80 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
SRC P12931 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
AVPR1B P47901 1/20 0.40

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
SCHEMBL3746406 1.00 ALDH1A1 (0.47) ALDH1A1MAPTNPY5RF2TMPRSS6
SCHEMBL3732011 0.90 ITGB3 (0.47) ALDH1A1MAPTNPY5RF2TMPRSS6
SCHEMBL3732009 0.90 ITGB3 (0.47) ALDH1A1MAPTNPY5RF2TMPRSS6
SCHEMBL3745613 0.88 F2 (0.49) ALDH1A1MAPTNPY5RF2TMPRSS6
SCHEMBL3745612 0.88 F2 (0.49) ALDH1A1MAPTNPY5RF2TMPRSS6
SCHEMBL3732024 0.87 F2 (0.42) ALDH1A1MAPTNPY5RF2TMPRSS6
SCHEMBL3741496 0.86 TGM2 (0.46) NPY5RF2SMN1; SMN2LMNA
SCHEMBL3741490 0.86 TGM2 (0.46) NPY5RF2SMN1; SMN2LMNA
SCHEMBL3746413 0.85 ALDH1A1 (0.44) ALDH1A1MAPTNPY5RF2TMPRSS6
SCHEMBL3743526 0.85 PTPN1 (0.44) ALDH1A1MAPTNPY5RF2TMPRSS6

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 ALDH1A1 765/4885MAPT 3112/4885NPY5R 1749/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 ALDH1A1 765/4885MAPT 3112/4885NPY5R 1749/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 ALDH1A1 765/4885MAPT 3112/4885NPY5R 1749/4885

“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.