SCHEMBL21222656

SCHEMBL21222656

CC(C)(O)C1CCC(NC(=O)C2CC(Oc3cc(F)ccc3OC(F)F)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.44
PDE4D Q08499 4/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PTGES O14684 1/20 0.37
EPHX2 P34913 3/20 0.37
IDO1 P14902 2/20 0.36

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
SCHEMBL21222653 1.00 HPGDS (0.44) HPGDSPDE4DMEN1KMT2ATDP1
SCHEMBL21222484 0.92 PDE4D (0.38) HPGDSPDE4DMEN1KMT2ATDP1
SCHEMBL21227930 0.92 PDE4D (0.38) HPGDSPDE4DMEN1KMT2ATDP1
SCHEMBL21222480 0.92 PDE4D (0.38) HPGDSPDE4DMEN1KMT2ATDP1
SCHEMBL21221985 0.90 HPGDS (0.43) HPGDSMEN1KMT2AEPHX2
SCHEMBL21228054 0.90 HPGDS (0.43) HPGDSMEN1KMT2AEPHX2
SCHEMBL21221984 0.90 HPGDS (0.43) HPGDSMEN1KMT2AEPHX2
SCHEMBL21221977 0.90 HPGDS (0.45) HPGDSPDE4DMEN1KMT2APDE4A
SCHEMBL20064644 0.90 HPGDS (0.45) HPGDSPDE4DMEN1KMT2APDE4A
SCHEMBL21221974 0.89 HPGDS (0.44) HPGDSPDE4DKMT2APDE4APDE4B

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-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 claimed
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

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 HPGDS 1/4885PDE4D 246/4885MEN1 3899/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 HPGDS 1/4885PDE4D 246/4885MEN1 3899/4885

“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.