SCHEMBL20064552

SCHEMBL20064552

O=C(Nc1nccs1)[C@H]1C[C@H](Oc2cccc3cccnc23)C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 2/20 0.61
TP53 P04637 1/20 0.61
HPGD P15428 1/20 0.61
RAB9A P51151 1/20 0.61
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL21222268 1.00 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPC1TP53HPGD
SCHEMBL21221961 0.88 NPC1 (0.49) ALDH1A1SMN1; SMN2NPC1TP53HPGD
SCHEMBL21221958 0.88 NPC1 (0.49) ALDH1A1SMN1; SMN2NPC1TP53HPGD
SCHEMBL21222566 0.86 NPC1 (0.45) ALDH1A1SMN1; SMN2NPC1TP53HPGD
SCHEMBL20064647 0.86 NPC1 (0.45) ALDH1A1SMN1; SMN2NPC1TP53HPGD
SCHEMBL21221899 0.85 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2NPC1TP53HPGD
SCHEMBL21221902 0.85 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2NPC1TP53HPGD
SCHEMBL21222581 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1TP53HPGD
SCHEMBL21222578 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1TP53HPGD
SCHEMBL20064662 0.83 RECQL (0.42) ALDH1A1SMN1; SMN2NPC1TP53HPGD

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 ALDH1A1 222/4885SMN1; SMN2 320/4885NPC1 2835/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885SMN1; SMN2 320/4885NPC1 2835/4885

“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.