SCHEMBL6935247

SCHEMBL6935247

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.55
CA1 P00915 7/20 0.55
CA2 P00918 7/20 0.55
CA9 Q16790 7/20 0.55
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
ACHE P22303 6/20 0.40
IDO1 P14902 2/20 0.40

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
SCHEMBL5190681 0.94 CA12 (0.62) CA12CA1CA2CA9TDP1
SCHEMBL6937740 0.92 CA12 (0.62) CA12CA1CA2CA9TDP1
SCHEMBL21423490 0.90 TDP1 (0.47) CA12CA1CA2CA9TDP1
SCHEMBL1067321 0.86 CA12 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL5190585 0.85 CA12 (0.70) CA12CA1CA2CA9TDP1
SCHEMBL27610884 0.84 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL6938771 0.83 TDP1 (0.59) CA12CA1CA2CA9TDP1
SCHEMBL35211336 0.82 CA12 (0.59) CA12CA1CA2CA9TDP1
SCHEMBL30206955 0.81 TDP1 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL1063112 0.81 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220257781-A1 POLYMER CONJUGATE BONDED TO TERTIARY AMINE COMPOUND OR IMINE COMPOUND AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2022-08-18 US disclosed
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
CN-100368401-C Cyanoguanidine prodrugs LEO PHARMA AS (DK) 2008-02-13 CN disclosed
CN-1589262-A Cyanoguanidine prodrugs LEO PHARMA AS (DK) 2005-03-02 CN 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 (2 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
US-20220257781-A1 POLYMER CONJUGATE BONDED TO TERTIARY AMINE COMPOUND OR IMINE COMPOUND AND PRODUCTION METHOD THEREFOR ODC1, DOHH, SMYD2 CA12 2413/4885CA1 2835/4885CA2 3273/4885

“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.