SCHEMBL5503153

SCHEMBL5503153

COC(=O)c1ccccc1-c1cccc(-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 13)

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
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FAAH O00519 2/20 0.32
ATR Q13535 1/20 0.31
MAPT P10636 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL5500755 0.95 SLC6A3 (0.34) NPC1ALDH1A1HPGDSMN1; SMN2FAAH
SCHEMBL5499219 0.93 BRS3 (0.30) NPC1FLT1FLT4KDR
SCHEMBL5502948 0.91 NPC1 (0.34) NPC1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5503916 0.88 NPC1 (0.34) NPC1LTB4R2
SCHEMBL5500055 0.87 FAAH (0.35) HPGDSMN1; SMN2FAAH
SCHEMBL5503152 0.86 PTPN1 (0.35) NPC1ALDH1A1HPGDSMN1; SMN2FLT1
SCHEMBL5504739 0.86 PTPN1 (0.31)
SCHEMBL5502723 0.84 PTPN1 (0.35) HPGDSMN1; SMN2FAAH
SCHEMBL5499206 0.83 PLG (0.33)
SCHEMBL5505262 0.83 HDAC1 (0.31) ALDH1A1HPGDFAAH

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.