SCHEMBL20064074

SCHEMBL20064074

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
GAA P10253 1/20 0.65
TSHR P16473 1/20 0.62
EPHX1 P07099 1/20 0.59
KDM1A O60341 1/20 0.56
MAOB P27338 1/20 0.56
CPB1 P15086 1/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSK P43235 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DPP4 P27487 4/20 0.51
DPP7 Q9UHL4 4/20 0.51
KCNH2 Q12809 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ACHE P22303 1/20 0.51
TLR4 O00206 1/20 0.49

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
SCHEMBL14646988 1.00 ALDH1A1 (0.65) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL16494881 1.00 ALDH1A1 (0.65) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL25568205 0.90 ALDH1A1 (0.67) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL25568203 0.88 TSHR (0.64) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL25568201 0.88 TSHR (0.64) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL21946019 0.86 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL21945751 0.86 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL21945750 0.86 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL562870 0.86 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1KDM1A
SCHEMBL11568878 0.86 ALDH1A1 (0.61) ALDH1A1GAATSHREPHX1KDM1A

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-11149035-B2 Chemical compounds as H—PGDS inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DFVELOPMENT LIMITED (GB) 2021-10-19 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-20200123152-A1 Chemical Compounds as H-PGDS Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-23 US disclosed
CN-110753692-A Chemical compounds as H-PGDS inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-02-04 CN 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 (4 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-11149035-B2 Chemical compounds as H—PGDS inhibitors HPGDS, PTGS1, PTGIS ALDH1A1 918/4885GAA 814/4885TSHR 4104/4885
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-20200123152-A1 Chemical Compounds as H-PGDS Inhibitors HPGDS, PTGS1, PTGIS ALDH1A1 889/4885GAA 785/4885TSHR 4134/4885
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.