Sugi Predict

Sugi Predict / Compounds / SCHEMBL4898689

SCHEMBL4898689

SCHEMBL4898689

O=c1n(Cc2ccccc2)cc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(F)(F)P(=O)(O)O)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.38
▸ PTPN2 P17706 2/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ CYP2D6 P10635 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ EDNRB P24530 3/20 0.34
▸ EDNRA P25101 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SLC16A3 O15427 1/20 0.34
▸ SLC16A1 P53985 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL4897308 0.87 PTPN1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL4892091 0.85 PTPN1 (0.42) PTPN1PTPN2PTPRCMAPTKDM4E
SCHEMBL4898547 0.85 PTPN1 (0.39) PTPN1PTPN2PTPRC
SCHEMBL4890705 0.84 PTPN1 (0.42) PTPN1PTPN2PTPRCKDM4EHPGD
SCHEMBL4895481 0.84 PTPN1 (0.45) PTPN1PTPN2PTPRCALDH1A1POLB
SCHEMBL4898664 0.84 PTPN1 (0.45) PTPN1PTPN2PTPRCALDH1A1POLB
SCHEMBL4899255 0.82 PTPN1 (0.44) PTPN1PTPN2PTPRCPOLB
SCHEMBL4901608 0.82 PTPN5 (0.42) PTPN1PTPN2PTPRC
SCHEMBL4890502 0.82 PTPN1 (0.41) PTPN1PTPN2PTPRC
SCHEMBL4901308 0.81 PTPN1 (0.40) PTPN1PTPN2PTPRCKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 — — US claimed
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 — — WO claimed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 — — US disclosed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 — — US disclosed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 — — 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 (1 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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS PTPN1 13/4885PTPN2 27/4885PTPRC 18/4885

“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.