SCHEMBL20064274

SCHEMBL20064274

COC(=O)[C@H]1C[C@H](Oc2cccc3cc(F)cnc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.43
IDO1 P14902 3/20 0.38
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
PSMD14 O00487 1/20 0.36
KDR P35968 2/20 0.36
PIM1 P11309 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
ADORA2A P29274 1/20 0.35
HTR1A P08908 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
ATR Q13535 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL20064263 0.87 ENPP2 (0.38) HPGDSIDO1GRIN1GRIN2B
SCHEMBL21222061 0.87 ENPP2 (0.38) HPGDSIDO1GRIN1GRIN2B
SCHEMBL21222357 0.85 ALDH1A1 (0.40) HTR1A
SCHEMBL21222358 0.85 ALDH1A1 (0.40) HTR1A
SCHEMBL21222140 0.82 MAPT (0.49)
SCHEMBL20064140 0.82 MAPT (0.49)
SCHEMBL21222281 0.81 PIM2 (0.37) HPGDSGRIN1GRIN2BKDRPIM1
SCHEMBL21222283 0.81 PIM2 (0.37) HPGDSGRIN1GRIN2BKDRPIM1
SCHEMBL21222566 0.79 NPC1 (0.45) PSMD14JAK2
SCHEMBL20064647 0.79 NPC1 (0.45) PSMD14JAK2

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 HPGDS 1/4885IDO1 85/4885GRIN1 1827/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 HPGDS 1/4885IDO1 85/4885GRIN1 1827/4885

“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.