SCHEMBL20064076

SCHEMBL20064076

CC(C)(C)OC(=O)Nc1ncc(C(C)(C)O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CCNE2 O96020 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
LCK P06239 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
FFAR2 O15552 2/20 0.39

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
SCHEMBL20877512 0.89 CA1 (0.47) CA1CA2CCNE2CCNE1CDK2
SCHEMBL2174552 0.88 CA1 (0.49) CA1CA2CCNE2CCNE1CDK2
SCHEMBL12241503 0.81 RAB9A (0.52) CA1CA2CCNE2CCNE1CDK2
SCHEMBL640612 0.81 CA1 (0.45) CA1CA2CCNE2CCNE1CDK2
SCHEMBL34467538 0.81 FFAR2 (0.48) LCKSMN1; SMN2FFAR2
SCHEMBL13039 0.80 FPR3 (0.54) CA1CA2CCNE2CCNE1CDK2
SCHEMBL15921777 0.80 CA1 (0.50) CA1CA2CCNE2CCNE1CDK2
SCHEMBL13266901 0.80 CA1 (0.47) CA1CA2CCNE2CCNE1CDK2
SCHEMBL27819346 0.80 CA1 (0.47) CA1CA2CCNE2CCNE1CDK2
SCHEMBL640631 0.80 FFAR2 (0.52) CA1CA2CCNE2CCNE1CDK2

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
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
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 PSEN1 1279/4885PSEN2 2060/4885APH1B 1623/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 PSEN1 1279/4885PSEN2 2060/4885APH1B 1623/4885

“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.