SCHEMBL21222305

SCHEMBL21222305

CC(C)(O)C1CCC(NC(=O)C2CC(Oc3ccccc3OC(F)(F)F)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.43
SSTR1 P30872 2/20 0.43
SSTR4 P31391 2/20 0.43
HPGDS O60760 8/20 0.43
ACKR3 P25106 1/20 0.37
HSD11B1 P28845 1/20 0.36
HSD11B2 P80365 1/20 0.36
S1PR5 Q9H228 1/20 0.35
PTGES O14684 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL21222302 1.00 EPHX2 (0.43) EPHX2SSTR1SSTR4HPGDSACKR3
SCHEMBL21222050 0.88 HPGDS (0.44) EPHX2HPGDS
SCHEMBL20064724 0.88 HPGDS (0.44) EPHX2HPGDS
SCHEMBL20064644 0.87 HPGDS (0.45) HPGDSS1PR5PTGES
SCHEMBL21221977 0.87 HPGDS (0.45) HPGDSS1PR5PTGES
SCHEMBL20064617 0.86 PTGES (0.47) EPHX2SSTR1SSTR4HPGDSPTGES
SCHEMBL21222471 0.86 PTGES (0.47) EPHX2SSTR1SSTR4HPGDSPTGES
SCHEMBL21228028 0.82 SSTR1 (0.45) EPHX2SSTR1SSTR4HPGDS
SCHEMBL21221969 0.81 HPGDS (0.43) EPHX2HPGDSPTGES
SCHEMBL20065720 0.81 HPGDS (0.43) EPHX2HPGDSPTGES

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 EPHX2 436/4885SSTR1 1921/4885SSTR4 3821/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 EPHX2 436/4885SSTR1 1921/4885SSTR4 3821/4885

“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.