SCHEMBL3014822

SCHEMBL3014822

CCOP(=O)(Cc1ccc(NC(=O)CCN)cc1)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.50
DGAT2 Q96PD7 1/20 0.50
LTA4H P09960 2/20 0.47
EPHX2 P34913 1/20 0.47
ENTPD1 P49961 1/20 0.46
NPY5R Q15761 1/20 0.44
HDAC1 Q13547 3/20 0.43
ENTPD2 Q9Y5L3 1/20 0.43
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
TERT O14746 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 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
Hydrochloric Acid SCHEMBL3014817 0.99 ENPP2 (0.49) ENPP2DGAT2LTA4HEPHX2ENTPD1
SCHEMBL3008282 0.92 ENPP2 (0.54) ENPP2DGAT2LTA4HEPHX2ENTPD1
Hydrochloric Acid SCHEMBL3008279 0.91 ENPP2 (0.53) ENPP2DGAT2LTA4HEPHX2ENTPD1
SCHEMBL3024941 0.89 ENPP2 (0.46) ENPP2DGAT2LTA4HEPHX2ENTPD1
SCHEMBL5273383 0.88 ENPP2 (0.49) ENPP2DGAT2LTA4HEPHX2ENTPD1
Hydrochloric Acid SCHEMBL3024939 0.88 ENPP2 (0.45) ENPP2DGAT2LTA4HEPHX2ENTPD1
SCHEMBL27990549 0.86 ENPP2 (0.64) ENPP2DGAT2ENTPD1HDAC1HDAC3
SCHEMBL5280572 0.85 ENPP2 (0.45) ENPP2DGAT2LTA4HEPHX2ENTPD1
SCHEMBL1486740 0.81 KMT2A (0.53) NPY5R
SCHEMBL19331999 0.81 NPY5R (0.48) ENPP2DGAT2ENTPD1NPY5RHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 EP disclosed
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2010-08-12 US disclosed
EP-2019834-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2009-02-04 EP disclosed
WO-2007135195-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-29 WO disclosed
EP-1860113-A1 Ectonucleotidase inhibitors Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-28 EP 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-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS NT5E, NT5C2, ENTPD1 ENPP2 50/4885DGAT2 3092/4885LTA4H 409/4885

“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.