SCHEMBL4732514

SCHEMBL4732514

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.72
▸ TDP1 Q9NUW8 1/20 0.65
▸ PKM P14618 2/20 0.56
▸ 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
▸ F2 P00734 1/20 0.52
▸ CAPN1 P07384 2/20 0.51
▸ HSP90AB1 P08238 1/20 0.49

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
SCHEMBL14547441 1.00 FOLH1 (0.72) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL6973486 0.96 FOLH1 (0.67) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL1405877 0.88 FOLH1 (0.56) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL10044328 0.88 TDP1 (0.72) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL29928558 0.87 TDP1 (0.75) FOLH1TDP1PKMCAPN1
SCHEMBL9807479 0.87 TDP1 (0.77) FOLH1TDP1PKMCAPN1
SCHEMBL6972386 0.87 FOLH1 (0.57) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL12809772 0.87 FOLH1 (0.57) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL13497854 0.86 PRSS1 (0.67) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL13497916 0.86 PRSS1 (0.67) FOLH1TDP1PKMPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445450-B2 Antithrombotic dual inhibitors comprising a biotin residue MERCK SHARP & DOHME B.V. (NL) 2013-05-21 — — US disclosed
US-20120245109-A1 ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE MSD OSS B.V. (NL) 2012-09-27 — — US disclosed
US-20120238512-A1 ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE MSD OSS B.V. (NL) 2012-09-20 — — 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-8183228-B2 Anticoagulant antithrombotic dual inhibitors comprising a biotin label MSD OSS B.V. Netherlands (US) 2012-05-22 — — US disclosed
US-8168595-B2 Antithrombotic dual inhibitors comprising a biotin residue Msd Oss B.V (NL) 2012-05-01 — — US disclosed
US-8168595-B2 Antithrombotic dual inhibitors comprising a biotin residue Msd Oss B.V (NL) 2012-05-01 — — 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
US-20100004186-A1 Antithrombotic Dual Inhibitors Comprising A Biotin Residue N.V. ORGANON (NL) 2010-01-07 — — US disclosed
US-20100004186-A1 Antithrombotic Dual Inhibitors Comprising A Biotin Residue N.V. ORGANON (NL) 2010-01-07 — — US disclosed
WO-2006067173-A2 ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE N.V. ORGANON (NL) 2006-06-29 — — 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 (4 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-20120238512-A1 ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE BRS3, SERPINC1, TBXA2R FOLH1 2963/4885TDP1 4033/4885PKM 4870/4885
US-20100029582-A1 Anticoagulant Antithrombotic Dual Inhibitors Comprising a Biotin Label FGB, F13B, SERPINC1 FOLH1 1400/4885TDP1 3436/4885PKM 3835/4885
US-20100004186-A1 Antithrombotic Dual Inhibitors Comprising A Biotin Residue SERPINC1, BRS3, TBXA2R FOLH1 2988/4885TDP1 3824/4885PKM 4870/4885
US-20120245109-A1 ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE TBXA2R, MC3R, BRS3 FOLH1 2786/4885TDP1 3956/4885PKM 4872/4885

“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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