SCHEMBL5505306

SCHEMBL5505306

O=C(O)c1cccc(Oc2cccc(-c3nnc(N(Cc4ccc(C(F)(F)P(=O)(O)O)c(Br)c4)c4ccc(Cl)c(Cl)c4)o3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.39
PTPN2 P17706 5/20 0.39
KMO O15229 1/20 0.39
PTPRC P08575 2/20 0.36
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN5 P54829 1/20 0.34
AKR1C3 P42330 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PLAU P00749 1/20 0.32

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
SCHEMBL5507376 0.95 NR1H2 (0.38) PTPN1PTPN2KMOPTPRCNPC1
SCHEMBL5501676 0.92 NR1H2 (0.38) PTPN1PTPN2NPC1ALDH1A1HPGD
SCHEMBL5508633 0.89 PTPN5 (0.43) PTPN1PTPN2KMOPTPN5PLAU
SCHEMBL4959788 0.87 PTPN1 (0.38) PTPN1PTPN2KMOPTPRCPTGES
SCHEMBL5987596 0.85 KMO (0.50) KMOPTGESALOX5NPC1ALDH1A1
SCHEMBL5505414 0.84 PTPN5 (0.40) PTPN1PTPN2KMOPTPRCNPC1
SCHEMBL5505312 0.84 KMO (0.39) KMOPTGESALOX5NPC1ALDH1A1
SCHEMBL5499205 0.81 PTPN1 (0.36) PTPN1PTPN2PTPRCPTPN5NR1H2
SCHEMBL5508632 0.81 KMO (0.43) KMOPTGESALOX5NPC1ALDH1A1
SCHEMBL5508244 0.81 PTPN5 (0.42) PTPN1PTPN2PTPRCNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US 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 PTPN1 3/4885PTPN2 24/4885KMO 1058/4885

“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.