SCHEMBL21222136

SCHEMBL21222136

CC(C)(O)C1CCC(NC(=O)C2CC(Oc3cc(F)ccc3Cl)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.46
EPHX2 P34913 5/20 0.42
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGDS O60760 4/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCD O00767 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL21222134 1.00 PTGES (0.46) PTGESEPHX2HPGDKDM4EALDH1A1
SCHEMBL21222659 0.90 KDM4E (0.47) PTGESKDM4EALDH1A1HPGDSPOLB
SCHEMBL21222253 0.90 HPGDS (0.40) PTGESEPHX2HPGDS
SCHEMBL21222250 0.90 HPGDS (0.40) PTGESEPHX2HPGDS
SCHEMBL21222661 0.90 KDM4E (0.47) PTGESKDM4EALDH1A1HPGDSPOLB
SCHEMBL21222471 0.88 PTGES (0.47) PTGESEPHX2ALDH1A1HPGDSPOLB
SCHEMBL20064617 0.88 PTGES (0.47) PTGESEPHX2ALDH1A1HPGDSPOLB
SCHEMBL21221984 0.88 HPGDS (0.43) EPHX2HPGDSPOLBSMN1; SMN2NPC1
SCHEMBL21221985 0.88 HPGDS (0.43) EPHX2HPGDSPOLBSMN1; SMN2NPC1
SCHEMBL21228054 0.88 HPGDS (0.43) EPHX2HPGDSPOLBSMN1; SMN2NPC1

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 PTGES 8/4885EPHX2 436/4885HPGD 7/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 PTGES 8/4885EPHX2 436/4885HPGD 7/4885

“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.