SCHEMBL21222362

SCHEMBL21222362

O=C(O)C1CC(Oc2cc(F)cc3scnc23)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
DGAT1 O75907 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCD O00767 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIA2 P42262 1/20 0.30
MGLL Q99685 1/20 0.30
PKLR P30613 1/20 0.30

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
SCHEMBL21222361 1.00 IDO1 (0.32) IDO1NPC1RAB9ADGAT1KCNH2
SCHEMBL21222640 0.87 MALT1 (0.34) IDO1NPC1RAB9APKLR
SCHEMBL21222638 0.87 MALT1 (0.34) IDO1NPC1RAB9APKLR
SCHEMBL20063982 0.80 MKNK1 (0.34) DGAT1KCNH2GRIK1GRIA2
SCHEMBL21222386 0.80 MKNK1 (0.34) DGAT1KCNH2GRIK1GRIA2
SCHEMBL20064062 0.79 PPARA (0.31)
SCHEMBL21221957 0.79 ROCK2 (0.32) PKLR
SCHEMBL21221959 0.79 ROCK2 (0.32) PKLR
SCHEMBL20064949 0.76 HPGDS (0.36) IDO1PKLR
SCHEMBL21222592 0.75 PDE4D (0.46) NPC1RAB9A

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 2 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

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 IDO1 85/4885NPC1 2835/4885RAB9A 2499/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 IDO1 85/4885NPC1 2835/4885RAB9A 2499/4885

“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.