SCHEMBL6938487

SCHEMBL6938487

CC(C)(C)OC(=O)NCCCNC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
GAA P10253 1/20 0.66
KMT2A Q03164 1/20 0.66
TDP1 Q9NUW8 1/20 0.65
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
CA1 P00915 9/20 0.53
CA2 P00918 9/20 0.53
CA12 O43570 6/20 0.53
CA9 Q16790 6/20 0.53
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
EPHX1 P07099 1/20 0.45
HTT P42858 1/20 0.44
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
IDO1 P14902 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3020260 0.96 TDP1 (0.70) MEN1GAAKMT2ATDP1MAOA
SCHEMBL30352623 0.94 MEN1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL25801555 0.94 TDP1 (0.73) MEN1GAAKMT2ATDP1MAOA
SCHEMBL9531926 0.94 TDP1 (0.73) MEN1GAAKMT2ATDP1MAOA
SCHEMBL31181380 0.93 MAOA (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8821237 0.93 MAOA (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL20425056 0.93 MAOA (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1760969 0.92 MEN1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL569251 0.92 TDP1 (0.74) MEN1GAAKMT2ATDP1MAOA
SCHEMBL25354781 0.91 MAOA (0.65) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118829423-A Compositions for delivery of payload molecules to airway epithelium 摩登纳特斯有限公司 2024-10-22 CN disclosed
CN-116348147-A Compositions for delivery of payload molecules to airway epithelium 摩登纳特斯有限公司 2023-06-27 CN disclosed
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 WO disclosed
CN-111295368-A Chemically activated water soluble prodrugs 大日本住友制药株式会社 2020-06-16 CN 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
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 MEN1 4379/4885GAA 4017/4885KMT2A 2255/4885

“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.