SCHEMBL5506535

SCHEMBL5506535

CCOP(=O)(OCC)C(F)(F)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
NPSR1 Q6W5P4 3/20 0.39
KCNH2 Q12809 1/20 0.38
GAA P10253 3/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.36
TSHR P16473 2/20 0.35
NR1I2 O75469 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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
SCHEMBL4004235 0.81 PTPN1 (0.48) LMNAKDM4EHPGD
SCHEMBL3737637 0.81 PTPN1 (0.45) NPSR1GAALMNAALDH1A1KDM4E
SCHEMBL3735793 0.81 PTPN1 (0.39) CA1CA2CA9NPSR1KCNH2
SCHEMBL4005573 0.80 GAA (0.38) GAAHTTNR1I2SMN1; SMN2
SCHEMBL3800715 0.80 PTPN1 (0.39) LMNAALDH1A1POLBNR1I2
SCHEMBL4009773 0.80 PTPN2 (0.35) NPSR1KCNH2GAALMNA
SCHEMBL4008288 0.80 NPSR1 (0.40) NPSR1GAALMNAHTTL3MBTL1
SCHEMBL643902 0.80 ALDH1A1 (0.40) CA2NPSR1KCNH2GAALMNA
SCHEMBL3733049 0.79 PTPN1 (0.38) GAAPOLBACHE
SCHEMBL3741679 0.79 PTPN1 (0.41) LMNAPOLB

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
EP-1786421-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-05-23 EP claimed
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US claimed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 WO claimed
EP-1786421-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-05-23 EP disclosed
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US disclosed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 WO 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-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases PTPRO, PTPRG, PTPN1 CA1 2377/4885CA2 1730/4885CA5A 359/4885

“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.