SCHEMBL3018969

SCHEMBL3018969

CCOP(=O)(CNC(=O)CN)OCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
PPARD Q03181 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
FPR2 P25090 6/20 0.36
ENTPD2 Q9Y5L3 2/20 0.35
GAA P10253 1/20 0.34
PLAU P00749 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3008229 0.85 TSHR (0.39) TSHRPPARDCA12CA1CA2
SCHEMBL14948790 0.84 TSHR (0.44) TSHRPPARDCA12CA1CA2
Hydrochloric Acid SCHEMBL3008227 0.84 TSHR (0.38) TSHRPPARDCA12CA1CA2
SCHEMBL5275146 0.83 TSHR (0.40) TSHRPPARDCA12CA1CA2
SCHEMBL3029084 0.82 CYP1A2 (0.42) TSHRPPARDCA12CA1CA2
SCHEMBL3008180 0.81 PPARD (0.47) TSHRPPARDCA12CA1CA2
Hydrochloric Acid SCHEMBL3029081 0.81 CYP1A2 (0.41) TSHRPPARDCA12CA1CA2
SCHEMBL6829843 0.81 TSHR (0.41) TSHRPPARDCA12CA1CA2
SCHEMBL10715864 0.81 CA12 (0.43) TSHRPPARDCA12CA1CA2
SCHEMBL15127565 0.81 TSHR (0.41) TSHRPPARDCA12CA1CA2

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 TSHR 1082/4885PPARD 1784/4885CA12 4564/4885

“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.