SCHEMBL20065720

SCHEMBL20065720

COc1cc(F)ccc1O[C@H]1C[C@H](C(=O)N[C@H]2CC[C@H](C(C)(C)O)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
CDK1 P06493 2/20 0.40
CDK2 P24941 2/20 0.40
CDK9 P50750 2/20 0.40
CDK3 Q00526 2/20 0.40
CDK5 Q00535 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK5R1 Q15078 1/20 0.40
EPHX2 P34913 1/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL21221969 1.00 HPGDS (0.43) HPGDSSMN1; SMN2POLBCDK1CDK2
SCHEMBL21221984 0.96 HPGDS (0.43) HPGDSSMN1; SMN2POLBCDK1CDK2
SCHEMBL21221985 0.96 HPGDS (0.43) HPGDSSMN1; SMN2POLBCDK1CDK2
SCHEMBL21228054 0.96 HPGDS (0.43) HPGDSSMN1; SMN2POLBCDK1CDK2
SCHEMBL21222250 0.90 HPGDS (0.40) HPGDSEPHX2PTGES
SCHEMBL21222253 0.90 HPGDS (0.40) HPGDSEPHX2PTGES
SCHEMBL20064724 0.88 HPGDS (0.44) HPGDSSMN1; SMN2POLBEPHX2TLR8
SCHEMBL21222050 0.88 HPGDS (0.44) HPGDSSMN1; SMN2POLBEPHX2TLR8
SCHEMBL21222656 0.88 HPGDS (0.44) HPGDSEPHX2MEN1KMT2APTGES
SCHEMBL21222134 0.88 PTGES (0.46) HPGDSSMN1; SMN2POLBEPHX2NPC1

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 6 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-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
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 1/4885SMN1; SMN2 320/4885POLB 1254/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 HPGDS 1/4885SMN1; SMN2 320/4885POLB 1254/4885

“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.