SCHEMBL6799683

SCHEMBL6799683

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.65
CTSS P25774 2/20 0.65
AAK1 Q2M2I8 2/20 0.51
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
CACNA1B Q00975 3/20 0.43
EPHX1 P07099 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSH P09668 1/20 0.41
REN P00797 2/20 0.41
HTRA1 Q92743 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5025954 1.00 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL9106410 1.00 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL7409458 0.93 CTSK (0.63) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL14152817 0.93 CTSK (0.63) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL2627403 0.93 CTSK (0.63) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL7355314 0.90 CTSK (0.67) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL482062 0.87 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21427213 0.87 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21427220 0.87 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL8283416 0.87 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797700-B2 ANTICOAGULANTS AVENTIS PHARMACEUTICALS, INC. 2004-09-28 US disclosed
US-20020002268-A1 Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides AVENTIS PHARMACEUTICALS INC. 2002-01-03 US disclosed
US-6274705-B1 INHIBIT PLATELET AGGREGATION AND THROMBUS FORMATION, USEFUL IN PREVENTION AND TREATMENT OF THROMBOSIS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-08-14 US disclosed
EP-0812205-A4 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE POULENC RORER PHARMA (US) 1999-03-31 EP disclosed
US-5866685-A Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-02-02 US disclosed
EP-0812205-A1 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-12-17 EP disclosed
CN-1135717-A Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides RHONE POULENC RORER PHARMA (US) 1996-11-13 CN disclosed
WO-1995010295-A1 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-20 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-20020002268-A1 Antithrombotic azacycloalkylalkanoyl peptides and pseudopeptides PLAT, SELP, PIGS CTSK 237/4885CTSS 1480/4885AAK1 1636/4885

“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.