SCHEMBL5800343

SCHEMBL5800343

O=C(NC1=CCC(=NN2CCCC2)C=C1)[C@@H](NC(=S)Nc1c(Br)cc(Br)cc1Br)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ULK1 O75385 1/20 0.32
FPR2 P25090 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
SCHEMBL5801609 0.88 FPR2 (0.42) CA1CA2ULK1FPR2
SCHEMBL5803016 0.88 FPR2 (0.42) CA1CA2ULK1FPR2
SCHEMBL5803484 0.87 FPR2 (0.41) CA1CA2ULK1FPR2
SCHEMBL5800502 0.87 FPR2 (0.41) CA1CA2ULK1FPR2
SCHEMBL5803410 0.86 FPR2 (0.42) CA1CA2ULK1FPR2
SCHEMBL5800379 0.86 MEN1 (0.38) CA1CA2ULK1
SCHEMBL5802230 0.85 ALDH1A1 (0.43) ULK1FPR2
SCHEMBL5816679 0.85 ALDH1A1 (0.36) CA1CA2
SCHEMBL5799206 0.85 ALDH1A1 (0.40)
SCHEMBL5801664 0.83 ULK1 (0.37) CA1CA2ULK1

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-20060160790-A1 Thioureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US claimed
WO-2006063293-A2 THIOUREAS AS FACTOR Xa INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO claimed
US-20060160790-A1 Thioureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063293-A2 THIOUREAS AS FACTOR Xa INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060160790-A1 Thioureas as factor Xa inhibitors TFPI, TFPI2, F12 CA1 372/4885CA2 856/4885ULK1 4198/4885

“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.