SCHEMBL5502946

SCHEMBL5502946

COC(=O)c1ccccc1Oc1cccc(-c2cnc(N(Cc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)c3ccc(Cl)c(Cl)c3)o2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.35
PTPN2 P17706 3/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
VDR P11473 1/20 0.33
MAPT P10636 1/20 0.33
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 1/20 0.32
PTPN5 P54829 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30

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
SCHEMBL5514053 0.96 NR1H2 (0.34) PTPN1PTPN2NPC1ALDH1A1HPGD
SCHEMBL5499205 0.93 PTPN1 (0.36) PTPN1PTPN2VDRNR1H2NR1H3
SCHEMBL5499130 0.93 VDR (0.33) NPC1ALDH1A1HPGDSMN1; SMN2VDR
SCHEMBL5503152 0.91 PTPN1 (0.35) PTPN1PTPN2NPC1ALDH1A1HPGD
SCHEMBL5500754 0.89 PTPN1 (0.37) PTPN1PTPN2ALDH1A1HPGDPTPN5
SCHEMBL5502948 0.87 NPC1 (0.34) NPC1ALDH1A1HPGDSMN1; SMN2VDR
SCHEMBL5500052 0.85 PTPN1 (0.37) PTPN1PTPN2PTPN5KMT2AKDM4E
SCHEMBL5502721 0.85 PTPN1 (0.38) PTPN1PTPN2NR1H2
SCHEMBL5505258 0.85 PTPN1 (0.37) PTPN1PTPN2ALDH1A1HPGDPTPN5
SCHEMBL5499218 0.84 PTPN1 (0.37) PTPN1PTPN2NPC1PTPN5KMT2A

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 PTPN1 3/4885PTPN2 24/4885NPC1 3613/4885

“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.