SCHEMBL1404080

SCHEMBL1404080

CCOC(=O)COc1ccc(Br)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CXCR1 P25024 1/20 0.53
CXCR2 P25025 1/20 0.53
MAPT P10636 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
S1PR4 O95977 1/20 0.45
LMNA P02545 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
PABPC1 P11940 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL16837304 0.84 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2CXCR1CXCR2
SCHEMBL2549786 0.84 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2CXCR1CXCR2
SCHEMBL28492074 0.81 CXCR1 (0.67) KDM4EALDH1A1SMN1; SMN2CXCR1CXCR2
SCHEMBL13637085 0.81 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2CXCR1CXCR2
SCHEMBL6258808 0.81 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2CXCR1CXCR2
SCHEMBL23182899 0.81 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2CXCR1CXCR2
SCHEMBL12477150 0.80 CXCR1 (0.62) KDM4EALDH1A1SMN1; SMN2CXCR1CXCR2
SCHEMBL23348624 0.80 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2CXCR1CXCR2
SCHEMBL17863625 0.79 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2CXCR1CXCR2
SCHEMBL22907265 0.79 DGAT1 (0.43) KDM4EALDH1A1SMN1; SMN2CXCR1CXCR2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020263187-A1 COMPOUNDS FOR TREATMENT OF EYE DISORDERS SINOPSEE THERAPEUTICS (SG) 2020-12-30 WO disclosed
WO-2020263186-A1 COMPOUNDS FOR TREATMENT OF CANCER SINOPSEE THERAPEUTICS (SG) 2020-12-30 WO disclosed
EP-2291371-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-06-10 EP disclosed
EP-2291371-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-06-10 EP disclosed
US-8569292-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-8569292-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-8569292-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 US disclosed
EP-2291371-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 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 (1 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-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD11B2 KDM4E 3785/4885ALDH1A1 186/4885SMN1; SMN2 2811/4885

“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.