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Sugi Predict / Compounds / SCHEMBL3748549

SCHEMBL3748549

SCHEMBL3748549

COC(=O)c1ccccc1OCCCCNC(=O)[C@H](Cc1ccc(OP(=O)(O)C(F)F)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.44
▸ PTPRA P18433 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ PTPN22 Q9Y2R2 2/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ NPY5R Q15761 1/20 0.40
▸ BMP1 P13497 2/20 0.40
▸ SRC P12931 1/20 0.40
▸ AVPR1B P47901 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ F2 P00734 2/20 0.38
▸ TMPRSS6 Q8IU80 2/20 0.38

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
SCHEMBL3735645 0.90 PTPN1 (0.53) PTPN1PTPN22
SCHEMBL3737948 0.88 ITGB3 (0.49) MAPK1ITGB3ITGA2BNPY5RBMP1
SCHEMBL3748547 0.86 PTPN1 (0.45) PTPN1PTPRAMAPK1PTPN22ITGB3
SCHEMBL3748543 0.86 PTPN1 (0.45) PTPN1PTPRAMAPK1PTPN22ITGB3
SCHEMBL3740343 0.85 ITGB3 (0.48) MAPK1ITGB3ITGA2BNPY5RBMP1
SCHEMBL3798555 0.84 PTPN1 (0.47) PTPN1PTPRAPTPN22ITGB3ITGA2B
SCHEMBL3737955 0.83 ITGB3 (0.46) MAPK1ITGB3ITGA2BNPY5RBMP1
SCHEMBL3741536 0.83 ITGB3 (0.46) MAPK1ITGB3ITGA2BBMP1SRC
SCHEMBL3738170 0.83 ITGB3 (0.46) MAPK1ITGB3ITGA2BNPY5RBMP1
SCHEMBL3743526 0.82 PTPN1 (0.44) PTPN1PTPRAMAPK1PTPN22ITGB3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 — — US claimed
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.