SCHEMBL7796570

SCHEMBL7796570

O=C(O)CC[C@H](Nc1cc2c(s1)CC(CBr)CC2)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLR1 P15328 1/20 0.44
GART P22102 1/20 0.44
TBXAS1 P24557 1/20 0.34
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
FOLH1 Q04609 3/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
RIMKLA Q8IXN7 1/20 0.31
GGH Q92820 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
SCHEMBL7609290 0.76 GART (0.79) FOLR1GART
SCHEMBL7739887 0.60 NAALAD2 (0.46) HPGDFOLH1NAALAD2RIMKLAGGH
SCHEMBL60370 0.57 GAA (0.62) FOLH1NAALAD2RIMKLAGGH
SCHEMBL60371 0.57 GAA (0.62) FOLH1NAALAD2RIMKLAGGH
SCHEMBL7164156 0.57 NAALAD2 (0.36) FOLH1NAALAD2RIMKLAGGH
SCHEMBL25329657 0.56 APEX1 (0.43) KDM4EFOLH1NAALAD2RIMKLAGGH
SCHEMBL10935609 0.56 FOLH1 (0.53) FOLH1NAALAD2RIMKLAGGH
SCHEMBL14722083 0.56 FOLH1 (0.56) FOLH1NAALAD2RIMKLAGGH
SCHEMBL10935612 0.56 FOLH1 (0.53) FOLH1NAALAD2RIMKLAGGH
SCHEMBL6427494 0.56 FOLH1 (0.64) KDM4EHPGDFOLH1NAALAD2RIMKLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds VARNEY MICHAEL D (US) 2001-08-30 US disclosed
EP-0674516-B1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMA (US) 2000-02-02 EP disclosed
EP-0674516-A4 1995-10-25 EP disclosed
EP-0674516-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1995-10-04 EP disclosed
WO-1994013295-A1 ANTIPROLIFERATIVE SUBSTITUTED 5-THIAPYRIMIDINONE AND 5-SELENOPYRIMIDINONE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1994-06-23 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-20010018443-A1 Antiproliferative substituted 5-thiapyrimidinone and 5-selenopyrimidinone compounds GART, GARS1, NUDT1 FOLR1 586/4885GART 1/4885TBXAS1 2348/4885

“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.