SCHEMBL1405877

SCHEMBL1405877

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.56
▸ TDP1 Q9NUW8 5/20 0.55
▸ PLG P00747 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ TPSAB1 Q15661 1/20 0.47
▸ PKM P14618 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ IDE P14735 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RIN1 Q13671 1/20 0.46
▸ L3MBTL1 Q9Y468 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 0.88 FOLH1 (0.72) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL14547441 0.88 FOLH1 (0.72) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL6972386 0.86 FOLH1 (0.57) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL6973486 0.86 FOLH1 (0.67) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL12809772 0.86 FOLH1 (0.57) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL7990790 0.81 TDP1 (0.56) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL739034 0.80 TDP1 (0.63) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL29512013 0.80 TDP1 (0.63) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL912652 0.80 TDP1 (0.74) FOLH1TDP1PKMMEN1ABL1
SCHEMBL2536441 0.78 TDP1 (0.62) TDP1PKMMEN1ABL1LMNA

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 11 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-8168595-B2 Antithrombotic dual inhibitors comprising a biotin residue Msd Oss B.V (NL) 2012-05-01 — — US disclosed
EP-1991271-B1 ANTICOAGULANT ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN LABEL ORGANON NV (NL) 2011-03-09 — — EP disclosed
EP-1830887-B1 ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE ORGANON NV (NL) 2011-03-09 — — EP 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
EP-1830887-A2 ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE N.V. Organon (NL) 2007-09-12 — — EP 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 4033/4885PLG 512/4885
US-20100029582-A1 Anticoagulant Antithrombotic Dual Inhibitors Comprising a Biotin Label FGB, F13B, SERPINC1 FOLH1 1400/4885TDP1 3436/4885PLG 15/4885
US-20100004186-A1 Antithrombotic Dual Inhibitors Comprising A Biotin Residue SERPINC1, BRS3, TBXA2R FOLH1 2988/4885TDP1 3824/4885PLG 495/4885
US-20120245109-A1 ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN RESIDUE TBXA2R, MC3R, BRS3 FOLH1 2786/4885TDP1 3956/4885PLG 490/4885

“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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