Sugi Predict

Sugi Predict / Compounds / SCHEMBL3735525

SCHEMBL3735525

SCHEMBL3735525

O=C(NCCCCc1ccccc1)[C@H](Cc1ccc(OP(=O)(O)C(F)F)cc1)NS(=O)(=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.46
▸ EPHX2 P34913 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ PTAFR P25105 3/20 0.41
▸ PLG P00747 1/20 0.40
▸ NAMPT P43490 5/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ ITGAV P06756 1/20 0.38
▸ TBXAS1 P24557 2/20 0.38
▸ AVPR1B P47901 1/20 0.38
▸ GGT1 P19440 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
SCHEMBL3740548 0.86 MMP2 (0.48) SRCNPY5RMAPK1
SCHEMBL3730068 0.86 NPY5R (0.54) SRCNPY5RMAPK1
SCHEMBL3740536 0.86 BMP1 (0.51) SRCNPY5RMAPK1
SCHEMBL3733229 0.86 SRC (0.43) SRCNPY5RPLGMAPK1
SCHEMBL3741460 0.86 SRC (0.47) SRCNPY5RMAPK1GRIA1ITGAV
SCHEMBL3735516 0.85 PTAFR (0.44) EPHX2NPY5RPTAFRNAMPTTBXAS1
SCHEMBL3735521 0.85 PTAFR (0.44) EPHX2NPY5RPTAFRNAMPTTBXAS1
SCHEMBL3745711 0.84 SRC (0.46) SRCNPY5RMAPK1
SCHEMBL3741713 0.84 SRC (0.54) SRCPLG
SCHEMBL3745655 0.83 SRC (0.51) SRCPLGGRIA1ITGAV

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 SRC 174/4885EPHX2 2228/4885NPY5R 1749/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 SRC 174/4885EPHX2 2228/4885NPY5R 1749/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 SRC 174/4885EPHX2 2228/4885NPY5R 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.