Sugi Predict

Sugi Predict / Compounds / SCHEMBL20064091

SCHEMBL20064091

SCHEMBL20064091

O=C(N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1)OCCO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.72
▸ GAA P10253 1/20 0.72
▸ TSHR P16473 1/20 0.69
▸ EPHX1 P07099 1/20 0.61
▸ DPP4 P27487 6/20 0.56
▸ DPP7 Q9UHL4 6/20 0.56
▸ KCNH2 Q12809 3/20 0.56
▸ CTSL P07711 1/20 0.55
▸ CTSB P07858 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ TLR4 O00206 1/20 0.51
▸ KDM1A O60341 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ DRD2 P14416 1/20 0.50

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
SCHEMBL381922 0.91 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.91 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948456 0.91 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.90 ALDH1A1 (0.83) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL23812861 0.86 ALDH1A1 (0.69) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL856165 0.86 ALDH1A1 (0.72) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL2681634 0.86 ALDH1A1 (0.72) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL856166 0.86 ALDH1A1 (0.72) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL9555876 0.85 ALDH1A1 (0.76) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL851220 0.85 ALDH1A1 (0.76) ALDH1A1GAATSHREPHX1DPP4

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 ALDH1A1 222/4885GAA 568/4885TSHR 3838/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885GAA 568/4885TSHR 3838/4885

“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.