SCHEMBL957441

SCHEMBL957441

COC(=O)N(CCC(=O)c1ccccc1F)C(C)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
PTPN1 P18031 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.36
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
TP53 P04637 1/20 0.36
KAT6A Q92794 2/20 0.36
POLB P06746 1/20 0.36
DPP4 P27487 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC6A3 Q01959 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL957442 1.00 LMNA (0.38) LMNAPTPN1ERCC5FEN1ALDH1A1
SCHEMBL13953565 0.87 LMNA (0.36) LMNAPTPN1ERCC5FEN1ALDH1A1
SCHEMBL960035 0.84 SMN1; SMN2 (0.45) LMNAALDH1A1L3MBTL1ALOX5POLB
SCHEMBL3655071 0.82 KMT2A (0.39) ALDH1A1ALOX5KDM4ESLC6A3NPC1
SCHEMBL3655073 0.82 KMT2A (0.39) ALDH1A1ALOX5KDM4ESLC6A3NPC1
SCHEMBL15368826 0.78 ALOX5 (0.42) ALDH1A1ALOX5SMN1; SMN2CYP1A2
SCHEMBL957646 0.78 ALOX5 (0.42) ALDH1A1ALOX5SMN1; SMN2CYP1A2
SCHEMBL957547 0.76 PTPN1 (0.37) LMNAPTPN1ERCC5FEN1ALDH1A1
SCHEMBL959668 0.76 NPC1 (0.43) L3MBTL1SLC6A3NPC1MEN1KMT2A
SCHEMBL120003 0.74 LMNA (0.44) LMNAPTPN1ERCC5FEN1ALDH1A1

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 LMNA 2828/4885PTPN1 2206/4885ERCC5 3675/4885

“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.