SCHEMBL1986456

SCHEMBL1986456

CCCCCCCCCCCCN(CCN)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA9 Q16790 3/20 0.44
CA2 P00918 1/20 0.44
DNM1 Q05193 9/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
MGLL Q99685 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL25228718 0.92 CA12 (0.50) CA12CA1CA9CA2DNM1
SCHEMBL25272099 0.92 CA12 (0.50) CA12CA1CA9CA2DNM1
SCHEMBL25227720 0.92 CA12 (0.50) CA12CA1CA9CA2DNM1
SCHEMBL25270374 0.92 CA12 (0.50) CA12CA1CA9CA2DNM1
SCHEMBL25277072 0.92 CA12 (0.50) CA12CA1CA9CA2DNM1
SCHEMBL25270460 0.92 CA12 (0.50) CA12CA1CA9CA2DNM1
SCHEMBL25277227 0.92 CA12 (0.50) CA12CA1CA9CA2DNM1
SCHEMBL25269680 0.92 CA12 (0.50) CA12CA1CA9CA2DNM1
SCHEMBL25272251 0.92 CA12 (0.50) CA12CA1CA9CA2DNM1
SCHEMBL25227877 0.92 CA12 (0.50) CA12CA1CA9CA2DNM1

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-9493583-B2 Anionic polysaccharides functionalized by a hydrophobic acid derivative ADOCIA (FR) 2016-11-15 US claimed
EP-2516473-B1 ANIONIC POLYSACCHARIDES FUNCTIONALISED WITH A DERIVATIVE OF HYDROPHOBIC ACID ADOCIA (FR) 2020-09-30 EP disclosed
US-9493583-B2 Anionic polysaccharides functionalized by a hydrophobic acid derivative ADOCIA (FR) 2016-11-15 US disclosed
EP-2516473-A1 ANIONIC POLYSACCHARIDES FUNCTIONALISED BY A HYDROPHOBIC ACID DERIVATIVE Adocia (FR) 2012-10-31 EP disclosed
US-20110172166-A1 Anionic polysaccharides functionalized by a hydrophobic acid derivative ADOCIA (FR) 2011-07-14 US disclosed
WO-2011077405-A1 ANIONIC POLYSACCHARIDES FUNCTIONALISED BY A HYDROPHOBIC ACID DERIVATIVE ADOCIA (FR) 2011-06-30 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-20110172166-A1 Anionic polysaccharides functionalized by a hydrophobic acid derivative ALG1, CD44, FUT6 CA12 371/4885CA1 1436/4885CA9 736/4885

“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.