SCHEMBL7346299

SCHEMBL7346299

CCCCCCCCCCCCNC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 2/20 0.49
CTSK P43235 4/20 0.48
CTSS P25774 2/20 0.48
EPHX1 P07099 4/20 0.47
MMP8 P22894 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
PTPN1 P18031 1/20 0.43
RRM1 P23921 1/20 0.43

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
SCHEMBL10705302 0.94 CAPN1 (0.52) CAPN1TDP1KMT2ACTSKCTSS
SCHEMBL25118682 0.94 CAPN1 (0.52) CAPN1TDP1KMT2ACTSKCTSS
SCHEMBL24221821 0.88 KMT2A (0.53) CAPN1KMT2ACTSKCTSSMEN1
SCHEMBL10481480 0.86 CTSK (0.60) CAPN1TDP1CTSKCTSSEPHX1
SCHEMBL10704556 0.86 CTSK (0.60) CAPN1TDP1CTSKCTSSEPHX1
SCHEMBL2946356 0.85 TDP1 (0.57) CAPN1TDP1KMT2ACTSKCTSS
SCHEMBL22979065 0.85 TDP1 (0.57) CAPN1TDP1KMT2ACTSKCTSS
SCHEMBL7102232 0.85 CTSK (0.50) CAPN1TDP1KMT2ACTSKCTSS
SCHEMBL25449140 0.85 CAPN1 (0.47) CAPN1TDP1KMT2ACTSKCTSS
SCHEMBL10421985 0.85 CAPN1 (0.47) CAPN1TDP1KMT2ACTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180311342-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-11-01 US disclosed
EP-3395365-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-10-31 EP disclosed
WO-1990005141-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUKOCYTIC ELASTASE AND COLLAGENASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1990-05-17 WO disclosed
EP-0204775-A4 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE. UNIV TROBE (AU) 1989-10-04 EP disclosed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP disclosed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 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-20180311342-A1 IMMUNOSTIMULATING AGENT MYD88, TLR9, IL2 CAPN1 3304/4885TDP1 4542/4885KMT2A 915/4885

“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.