SCHEMBL957646

SCHEMBL957646

COC(=O)N(CCC(=O)C(C)C)C(C)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
PYCR1 P32322 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15368826 1.00 ALOX5 (0.42) ALOX5PYCR1ALDH1A1CYP1A2HPGD
SCHEMBL13953614 0.86 ALOX5 (0.31) ALOX5SMN1; SMN2
SCHEMBL15368370 0.85 ALOX5 (0.45) ALOX5PYCR1CYP1A2SMN1; SMN2CTSK
SCHEMBL960035 0.82 SMN1; SMN2 (0.45) ALOX5ALDH1A1HPGDSMN1; SMN2
SCHEMBL3655071 0.80 KMT2A (0.39) ALOX5ALDH1A1CYP1A2HPGD
SCHEMBL3655073 0.80 KMT2A (0.39) ALOX5ALDH1A1CYP1A2HPGD
SCHEMBL957441 0.78 LMNA (0.38) ALOX5ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL957442 0.78 LMNA (0.38) ALOX5ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL959668 0.76 NPC1 (0.43) CYP1A2
SCHEMBL13077090 0.75 SLC6A4 (0.42) ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 ALOX5 1148/4885PYCR1 480/4885ALDH1A1 98/4885

“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.