SCHEMBL5502944

SCHEMBL5502944

[CH2]c1ccc(OCC(=O)O)c(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.68
PTGDR2 Q9Y5Y4 8/20 0.53
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGDR Q13258 2/20 0.46
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1615073 0.84 PKM (0.70) PKMPTGDR2TDP1TSHRPOLB
SCHEMBL1244083 0.83 PKM (0.64) PKMPTGDR2TDP1TSHRPOLB
SCHEMBL2112042 0.81 PKM (1.00) PKMPTGDR2TDP1POLBPTGDR
SCHEMBL3714744 0.81 PKM (0.66) PKMPTGDR2TDP1TSHR
SCHEMBL4900465 0.81 TDP1 (0.70) PKMPTGDR2TDP1TSHRPTGDR
SCHEMBL1369311 0.81 TDP1 (0.70) PKMPTGDR2TDP1TSHRPTGDR
SCHEMBL4975454 0.79 PKM (0.64) PKMPTGDR2TSHRPOLBMAPT
SCHEMBL3708100 0.78 PKM (0.62) PKMPTGDR2MAPT
SCHEMBL10228596 0.78 PKM (0.62) PKMPTGDR2TDP1TSHRPOLB
SCHEMBL2103750 0.77 PKM (0.65) PKMPTGDR2

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 PKM 1300/4885PTGDR2 2109/4885TDP1 197/4885

“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.