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Sugi Predict / Compounds / SCHEMBL3743526

SCHEMBL3743526

SCHEMBL3743526

CCOP(=O)(OCC)C(F)(F)c1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)NCCCCOc2ccccc2C(=O)OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 0.44
▸ PTPRA P18433 1/20 0.44
▸ MAPK1 P28482 1/20 0.41
▸ F2 P00734 2/20 0.41
▸ TMPRSS6 Q8IU80 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ITGB3 P05106 3/20 0.39
▸ ITGAV P06756 3/20 0.39
▸ ITGA2B P08514 3/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ PTPN22 Q9Y2R2 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL3748547 0.91 PTPN1 (0.45) PTPN1PTPRAMAPK1F2TMPRSS6
SCHEMBL3748543 0.91 PTPN1 (0.45) PTPN1PTPRAMAPK1F2TMPRSS6
SCHEMBL3737276 0.90 PTPN1 (0.52) PTPN1PTPN22
SCHEMBL3737278 0.90 PTPN1 (0.52) PTPN1PTPN22
SCHEMBL3732011 0.89 ITGB3 (0.47) PTPN1MAPK1F2TMPRSS6ALDH1A1
SCHEMBL3732009 0.89 ITGB3 (0.47) PTPN1MAPK1F2TMPRSS6ALDH1A1
SCHEMBL3743530 0.87 PTPN1 (0.42) PTPN1PTPRAMAPK1F2TMPRSS6
SCHEMBL3746406 0.85 ALDH1A1 (0.47) PTPN1MAPK1F2TMPRSS6ALDH1A1
SCHEMBL3746409 0.85 ALDH1A1 (0.47) PTPN1MAPK1F2TMPRSS6ALDH1A1
SCHEMBL3735941 0.85 PTPN1 (0.47) PTPN1PTPRAPTPN22

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 PTPN1 2/4885PTPRA 27/4885MAPK1 182/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPRA 27/4885MAPK1 182/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPRA 27/4885MAPK1 182/4885

“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.