SCHEMBL4483339

SCHEMBL4483339

Cc1cnc(CO)c(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
AGXT P21549 1/20 0.38
PDXK O00764 3/20 0.37
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AOX1 Q06278 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
SHBG P04278 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
FYN P06241 1/20 0.31
NUDT1 P36639 2/20 0.31
AGBL2 Q5U5Z8 1/20 0.31

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
SCHEMBL1758565 0.82 AGXT (0.40) ALDH1A1KDM4EHPGDHSD17B10AGXT
SCHEMBL3397521 0.81 AGXT (0.33) AGXTCCR1CCR5CCR8AGBL2
SCHEMBL29400900 0.81 AGXT (0.33) AGXTCCR1CCR5CCR8AGBL2
Hydrochloric Acid SCHEMBL8063831 0.79 AGXT (0.33) AGXTPDXK
SCHEMBL3180063 0.77 HSP90AA1 (0.41) ALDH1A1KDM4EAGXTCCR1CCR5
SCHEMBL3394671 0.77 HSP90AA1 (0.40) ALDH1A1KDM4EAGXTCCR1CCR5
SCHEMBL3393038 0.77 HSP90AA1 (0.40) ALDH1A1KDM4EAGXTCCR1CCR5
SCHEMBL27885003 0.77 HSP90AA1 (0.41) ALDH1A1KDM4EAGXTLMNACCR1
SCHEMBL3802238 0.75 AGXT (0.36) ALDH1A1KDM4EHPGDHSD17B10AGXT
Hydrochloric Acid SCHEMBL7672150 0.75 HSP90AA1 (0.40) ALDH1A1KDM4EAGXTPDXKDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
CN-1735599-A 1-propanol and 1-propylamine derivatives and their use as glucocorticoid ligands BOEHRINGER INGELHEIM PHARMA (US) 2006-02-15 CN disclosed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 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-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R ALDH1A1 2975/4885KDM4E 3530/4885HPGD 1042/4885

“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.