Sugi Predict

Sugi Predict / Compounds / SCHEMBL3733102

SCHEMBL3733102

SCHEMBL3733102

O=C(NCCCOc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccc(OP(=O)(O)C(F)F)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ ITGB3 P05106 4/20 0.42
▸ ITGA2B P08514 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA5 P08648 1/20 0.40
▸ ADAMTS4 O75173 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ ADAMTS1 Q9UHI8 1/20 0.40
▸ ADAMTS7 Q9UKP4 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ GGT1 P19440 3/20 0.40
▸ F2 P00734 4/20 0.40
▸ TMPRSS6 Q8IU80 4/20 0.40
▸ BMP1 P13497 2/20 0.40
▸ SRC P12931 1/20 0.39
▸ NPY5R Q15761 1/20 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
SCHEMBL3743421 0.91 MAPK1 (0.42) MAPK1ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3738170 0.91 ITGB3 (0.46) MAPK1ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3740343 0.91 ITGB3 (0.48) MAPK1ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3737948 0.88 ITGB3 (0.49) MAPK1ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3741536 0.88 ITGB3 (0.46) MAPK1ITGB3ITGA2BMMP1ADAM17
SCHEMBL3733093 0.87 ITGB3 (0.44) MAPK1ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3733098 0.87 ITGB3 (0.44) MAPK1ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3745711 0.87 SRC (0.46) MAPK1ALDH1A1MAPTSMN1; SMN2F2
SCHEMBL3743231 0.86 ITGB3 (0.46) MAPK1ITGB3ITGA2BALDH1A1MAPT
SCHEMBL3737955 0.86 ITGB3 (0.46) MAPK1ITGB3ITGA2BALDH1A1MAPT

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 MAPK1 182/4885ITGB3 4528/4885ITGA2B 3660/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 MAPK1 182/4885ITGB3 4528/4885ITGA2B 3660/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 MAPK1 182/4885ITGB3 4528/4885ITGA2B 3660/4885

“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.