SCHEMBL3732024

SCHEMBL3732024

CCOP(=O)(OCC)C(F)(F)c1ccc(CC(NS(=O)(=O)c2ccccc2)C(=O)NCCCCc2ccccc2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.42
TMPRSS6 Q8IU80 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPY5R Q15761 1/20 0.41
MAPK1 P28482 1/20 0.40
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
LMNA P02545 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
AVPR1B P47901 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PTPN1 P18031 1/20 0.37

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
SCHEMBL3739023 0.89 PTPN1 (0.47) F2TMPRSS6ALDH1A1NPY5RMAPK1
SCHEMBL3746406 0.87 ALDH1A1 (0.47) F2TMPRSS6SMN1; SMN2ALDH1A1MAPT
SCHEMBL3746409 0.87 ALDH1A1 (0.47) F2TMPRSS6SMN1; SMN2ALDH1A1MAPT
SCHEMBL3733014 0.84 PTPN1 (0.49) PTPN1
SCHEMBL3739029 0.79 NPY5R (0.41) F2TMPRSS6SMN1; SMN2ALDH1A1MAPT
SCHEMBL3738009 0.78 HSP90AA1 (0.53) SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL3732011 0.78 ITGB3 (0.47) F2TMPRSS6SMN1; SMN2ALDH1A1MAPT
SCHEMBL3732009 0.78 ITGB3 (0.47) F2TMPRSS6SMN1; SMN2ALDH1A1MAPT
SCHEMBL3745613 0.77 F2 (0.49) F2TMPRSS6ALDH1A1MAPTNPY5R
SCHEMBL3745612 0.77 F2 (0.49) F2TMPRSS6ALDH1A1MAPTNPY5R

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 F2 4506/4885TMPRSS6 1963/4885SMN1; SMN2 831/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 F2 4506/4885TMPRSS6 1963/4885SMN1; SMN2 831/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 F2 4506/4885TMPRSS6 1963/4885SMN1; SMN2 831/4885

“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.