SCHEMBL956964

SCHEMBL956964

COC(=O)N(C(C)CC(=O)c1ccc(F)cc1)[C@@H](C)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 1/20 0.37
CACNA1G O43497 1/20 0.37
KCNH2 Q12809 1/20 0.37
RAD52 P43351 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL15355391 0.87 KMT2A (0.43) KMT2AALDH1A1ALOX5RAD52GAA
SCHEMBL15355390 0.87 KMT2A (0.43) KMT2AALDH1A1ALOX5RAD52GAA
SCHEMBL3655071 0.79 KMT2A (0.39) KMT2AHPGDALDH1A1MAPTALOX5
SCHEMBL3655073 0.79 KMT2A (0.39) KMT2AHPGDALDH1A1MAPTALOX5
SCHEMBL959668 0.77 NPC1 (0.43) L3MBTL1KMT2AKCNH2
SCHEMBL956967 0.77 KMT2A (0.41) KMT2AALDH1A1RAD52LMNAPTPN1
SCHEMBL13953360 0.74 CACNA1G (0.33) ALOX5CACNA1GKCNH2
SCHEMBL959435 0.74 CACNA1G (0.33) ALOX5CACNA1GKCNH2
SCHEMBL957533 0.73 ALDH1A1 (0.45) KMT2AALDH1A1HTTRAD52LMNA
SCHEMBL3642295 0.72 LMNA (0.39) L3MBTL1KMT2ATDP1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US 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
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 L3MBTL1 4021/4885KMT2A 4200/4885TDP1 1678/4885

“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.