SCHEMBL5508632

SCHEMBL5508632

O=C(O)c1cccc(Oc2cccc(-c3nnc(N(Cc4ccc(CP(=O)(OF)OF)cc4)c4ccc(Cl)c(Cl)c4)o3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
PLAU P00749 1/20 0.35
LPAR1 Q92633 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34
VDR P11473 1/20 0.34
AKR1C3 P42330 1/20 0.34
NR4A2 P43354 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL5505410 0.95 KMO (0.39) KMOLPAR1NPSR1HPGDVDR
SCHEMBL5508241 0.92 NR1H2 (0.39) KMOHPGDVDRALDH1A1KDM4E
SCHEMBL5505312 0.90 KMO (0.39) KMOPLAULPAR1MRGPRX4PTGES
SCHEMBL5987596 0.89 KMO (0.50) KMOPLAULPAR1MRGPRX4PTGES
SCHEMBL5507373 0.86 KMO (0.35) KMOLPAR1NPSR1HPGDVDR
SCHEMBL5508633 0.86 PTPN5 (0.43) KMOPLAULPAR1
SCHEMBL5501679 0.83 NR1H2 (0.36) HPGDVDRALDH1A1KDM4ENPC1
SCHEMBL5502717 0.82 PTGES (0.41) LPAR1PTGESALOX5AKR1C3ALDH1A1
SCHEMBL5505414 0.82 PTPN5 (0.40) KMOLPAR1VDRALDH1A1KDM4E
SCHEMBL5505306 0.81 PTPN1 (0.39) KMOPLAUPTGESALOX5HPGD

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 KMO 1058/4885PLAU 4562/4885LPAR1 3052/4885

“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.