SCHEMBL6973486

SCHEMBL6973486

NCCOCCOCCOCCOCC(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.67
▸ TDP1 Q9NUW8 1/20 0.60
▸ PRSS1 P07477 2/20 0.54
▸ PRSS2 P07478 2/20 0.54
▸ PRSS3 P35030 2/20 0.54
▸ TPSAB1 Q15661 2/20 0.54
▸ PLG P00747 1/20 0.54
▸ PKM P14618 2/20 0.52
▸ F2 P00734 1/20 0.48
▸ CAPN1 P07384 2/20 0.48
▸ HSP90AB1 P08238 1/20 0.46

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
SCHEMBL4732514 0.96 FOLH1 (0.72) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL14547441 0.96 FOLH1 (0.72) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL1405877 0.86 FOLH1 (0.56) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL10044328 0.85 TDP1 (0.72) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL9807479 0.85 TDP1 (0.77) FOLH1TDP1PKMCAPN1
SCHEMBL6972386 0.85 FOLH1 (0.57) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL12809772 0.85 FOLH1 (0.57) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL29928558 0.84 TDP1 (0.75) FOLH1TDP1PKMCAPN1
SCHEMBL29512013 0.83 TDP1 (0.63) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL739034 0.83 TDP1 (0.63) FOLH1TDP1PRSS1PRSS2PRSS3

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-8183228-B2 Anticoagulant antithrombotic dual inhibitors comprising a biotin label MSD OSS B.V. Netherlands (US) 2012-05-22 — — US disclosed
US-8183228-B2 Anticoagulant antithrombotic dual inhibitors comprising a biotin label MSD OSS B.V. Netherlands (US) 2012-05-22 — — US disclosed
US-20100029582-A1 Anticoagulant Antithrombotic Dual Inhibitors Comprising a Biotin Label MERCK SHARP & DOHME B.V. (NL) 2010-02-04 — — US disclosed
US-20100029582-A1 Anticoagulant Antithrombotic Dual Inhibitors Comprising a Biotin Label MERCK SHARP & DOHME B.V. (NL) 2010-02-04 — — US 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-20100029582-A1 Anticoagulant Antithrombotic Dual Inhibitors Comprising a Biotin Label FGB, F13B, SERPINC1 FOLH1 1400/4885TDP1 3436/4885PRSS1 936/4885

“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.

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