Sugi Predict

Sugi Predict / Compounds / SCHEMBL3733223

SCHEMBL3733223

SCHEMBL3733223

O=C(NCCCCc1ccccc1)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NS(=O)(=O)c1ccc(Oc2ccccc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAAT3 P53816 2/20 0.47
▸ PLAAT5 Q96KN8 2/20 0.47
▸ PLAAT2 Q9NWW9 2/20 0.47
▸ PLAAT4 Q9UL19 2/20 0.47
▸ F2 P00734 5/20 0.43
▸ F10 P00742 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ ST14 Q9Y5Y6 1/20 0.43
▸ TMPRSS6 Q8IU80 4/20 0.43
▸ NPY5R Q15761 1/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ ADAMTS4 O75173 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ PTPN1 P18031 5/20 0.41
▸ PTPN2 P17706 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3733225 1.00 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4F2
SCHEMBL3733229 0.87 SRC (0.43) PLAAT3PLAAT5PLAAT2PLAAT4F2
SCHEMBL3745613 0.86 F2 (0.49) F2TMPRSS6NPY5RMMP2PTPN1
SCHEMBL3745612 0.86 F2 (0.49) F2TMPRSS6NPY5RMMP2PTPN1
SCHEMBL4865485 0.85 NPY5R (0.45) PLAAT3PLAAT5PLAAT2PLAAT4F2
SCHEMBL4865492 0.85 NPY5R (0.45) PLAAT3PLAAT5PLAAT2PLAAT4F2
SCHEMBL3735516 0.84 PTAFR (0.44) F2TMPRSS6NPY5RPTPN1PTPN2
SCHEMBL3735521 0.84 PTAFR (0.44) F2TMPRSS6NPY5RPTPN1PTPN2
SCHEMBL3740529 0.84 BMP1 (0.51) F2TMPRSS6NPY5RMMP2MMP1
SCHEMBL3740533 0.84 BMP1 (0.51) F2TMPRSS6NPY5RMMP2MMP1

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 PLAAT3 242/4885PLAAT5 273/4885PLAAT2 185/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PLAAT3 242/4885PLAAT5 273/4885PLAAT2 185/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PLAAT3 242/4885PLAAT5 273/4885PLAAT2 185/4885

“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.