SCHEMBL5502948

SCHEMBL5502948

COC(=O)c1ccccc1Oc1cccc(-c2cnc(N(Cc3ccc(CP(=O)(OF)OF)c(Br)c3)c3ccc(Cl)c(Cl)c3)o2)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
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
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
KDM4E B2RXH2 2/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 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
SCHEMBL5499206 0.93 PLG (0.33) VDRCYP1A2CYP3A4CYP2C19
SCHEMBL5503153 0.91 NPC1 (0.34) NPC1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5500755 0.89 SLC6A3 (0.34) NPC1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5502946 0.87 PTPN1 (0.35) NPC1ALDH1A1HPGDSMN1; SMN2VDR
SCHEMBL5499219 0.85 BRS3 (0.30) NPC1KMT2A
SCHEMBL5505262 0.85 HDAC1 (0.31) ALDH1A1HPGDHDAC1HDAC6KDM4E
SCHEMBL5500055 0.85 FAAH (0.35) HPGDSMN1; SMN2HDAC1HDAC6KMT2A
SCHEMBL5499130 0.84 VDR (0.33) NPC1ALDH1A1HPGDSMN1; SMN2VDR
SCHEMBL5502723 0.84 PTPN1 (0.35) HPGDSMN1; SMN2KMT2A
SCHEMBL5504739 0.83 PTPN1 (0.31)

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 NPC1 3613/4885ALDH1A1 1227/4885HPGD 503/4885

“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.