Sugi Predict

Sugi Predict / Compounds / SCHEMBL3748684

SCHEMBL3748684

SCHEMBL3748684

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.50
▸ MLYCD O95822 1/20 0.39
▸ MMP8 P22894 1/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNG P07510 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRND Q07001 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ F2 P00734 2/20 0.37
▸ TMPRSS6 Q8IU80 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ GRIA1 P42261 1/20 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
SCHEMBL3741713 0.89 SRC (0.54) SRCMMP8ALDH1A1MAPTMMP1
SCHEMBL3741892 0.89 SRC (0.51) SRCMMP8CHRNA1CHRNGCHRNB1
SCHEMBL3745655 0.89 SRC (0.51) SRCMMP8CHRNA1CHRNGCHRNB1
SCHEMBL3738151 0.88 SRC (0.52) SRCMMP8CHRNA1CHRNGCHRNB1
SCHEMBL3738294 0.87 SRC (0.51) SRCCHRNA1CHRNGCHRNB1CHRND
SCHEMBL3740365 0.86 SRC (0.49) SRCCHRNA1CHRNGCHRNB1CHRND
SCHEMBL3740536 0.85 BMP1 (0.51) SRCMMP8MAPK1ALDH1A1MMP1
SCHEMBL3730068 0.85 NPY5R (0.54) SRCMAPK1ALDH1A1MAPTF2
SCHEMBL3740548 0.85 MMP2 (0.48) SRCMAPK1ALDH1A1MAPTF2
SCHEMBL3748675 0.84 PTPN1 (0.50) SRCMLYCD

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 174/4885MLYCD 2586/4885MMP8 1460/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 SRC 174/4885MLYCD 2586/4885MMP8 1460/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 SRC 174/4885MLYCD 2586/4885MMP8 1460/4885

“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.