SCHEMBL6937740

SCHEMBL6937740

CC(C)(C)OC(=O)NCCCOC(=O)OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.62
CA1 P00915 7/20 0.62
CA2 P00918 7/20 0.62
CA9 Q16790 7/20 0.62
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
ACHE P22303 7/20 0.46
IDO1 P14902 1/20 0.43
EPHX1 P07099 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
SCHEMBL1067321 0.93 CA12 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL5190585 0.93 CA12 (0.70) CA12CA1CA2CA9TDP1
SCHEMBL27610884 0.92 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL6935247 0.92 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL30206955 0.89 TDP1 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL1063112 0.89 CA12 (0.62) CA12CA1CA2CA9TDP1
SCHEMBL4112468 0.87 CA12 (0.60) CA12CA1CA2CA9TDP1
SCHEMBL6937743 0.87 CA12 (0.60) CA12CA1CA2CA9TDP1
SCHEMBL1063374 0.87 CA12 (0.60) CA12CA1CA2CA9TDP1
SCHEMBL23735563 0.86 CA12 (0.62) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2894149-B1 Cyanoguanidine prodrugs LEO PHARMA AS (DK) 2017-08-02 EP disclosed
EP-1339686-B1 CYANOGUANIDINE PRODRUGS LEO PHARMA AS (DK) 2015-09-16 EP disclosed
EP-2894149-A1 Cyanoguanidine prodrugs LEO PHARMA A/S (DK) 2015-07-15 EP disclosed
EP-1339686-A2 CYANOGUANIDINE PRODRUGS Leo Pharma A/S (DK) 2003-09-03 EP disclosed
US-6525077-B2 Antiproliferative agents LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-02-25 US disclosed
US-20020165201-A1 Cyanoguanidine prodrugs LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-11-07 US disclosed
WO-2002042265-A2 CYANOGUANIDINE PRODRUGS LEO PHARMA A/S (DK) 2002-05-30 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-20020165201-A1 Cyanoguanidine prodrugs CBR1, SIGMAR1, ROR1 CA12 1821/4885CA1 1133/4885CA2 1074/4885

“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.