SCHEMBL21222018

SCHEMBL21222018

COC(=O)N1CCCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.70
CA2 P00918 2/20 0.70
HSD11B1 P28845 9/20 0.57
CYP2C9 P11712 1/20 0.57
CTSK P43235 2/20 0.53
USP30 Q70CQ3 2/20 0.50
BTK Q06187 2/20 0.50
EPHX1 P07099 1/20 0.48
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
JAK3 P52333 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAP4K4 O95819 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
SCHEMBL24756014 1.00 CA1 (0.70) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL17545919 0.93 CA1 (0.71) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL27694125 0.89 CA1 (0.62) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL28767041 0.89 CA1 (0.62) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL2897115 0.89 CA1 (0.62) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL3467616 0.88 CA1 (0.65) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL3487968 0.87 CA1 (0.71) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL1159172 0.87 CA1 (0.71) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL3487489 0.87 CA1 (0.71) CA1CA2HSD11B1CYP2C9CTSK
SCHEMBL1467769 0.87 CA1 (0.71) CA1CA2HSD11B1CYP2C9CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
CN-106188027-B Aromatic heterocyclic derivative and application thereof in medicine 广东东阳光药业有限公司 2020-10-20 CN disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 CA1 4688/4885CA2 3198/4885HSD11B1 72/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 CA1 4688/4885CA2 3198/4885HSD11B1 72/4885

“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.