SCHEMBL3735528

SCHEMBL3735528

CN(CCCNC(=O)[C@H](Cc1ccc(OP(=O)(O)C(F)F)cc1)NS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 1/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
NPY5R Q15761 2/20 0.43
SRC P12931 1/20 0.42
MAPK1 P28482 1/20 0.41
BMP1 P13497 2/20 0.41
F2 P00734 2/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALOX15 P16050 1/20 0.37
PTPN1 P18031 2/20 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
SCHEMBL3742720 0.86 ADAMTS4 (0.43) AVPR1BNPY5RSRCMAPK1BMP1
SCHEMBL3740343 0.85 ITGB3 (0.48) NPY5RSRCMAPK1BMP1F2
SCHEMBL3737948 0.85 ITGB3 (0.49) NPY5RSRCMAPK1BMP1F2
SCHEMBL3735527 0.84 ALDH1A1 (0.46) AVPR1BTSHRGAANPY5RSRC
SCHEMBL3735522 0.84 ALDH1A1 (0.46) AVPR1BTSHRGAANPY5RSRC
SCHEMBL3738170 0.83 ITGB3 (0.46) NPY5RSRCMAPK1BMP1F2
SCHEMBL3741536 0.83 ITGB3 (0.46) SRCMAPK1BMP1F2TMPRSS6
SCHEMBL3730068 0.82 NPY5R (0.54) NPY5RSRCMAPK1BMP1F2
SCHEMBL3740536 0.82 BMP1 (0.51) NPY5RSRCMAPK1BMP1MMP2
SCHEMBL3743231 0.81 ITGB3 (0.46) MAPK1F2TMPRSS6ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008520575-A 2008-06-19 JP claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP claimed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO 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 AVPR1B 4862/4885TSHR 2670/4885GAA 214/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 AVPR1B 4862/4885TSHR 2670/4885GAA 214/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 AVPR1B 4862/4885TSHR 2670/4885GAA 214/4885

“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.