SCHEMBL2226012

SCHEMBL2226012

COC(=O)c1cc(Br)cc(C(=O)O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
AKR1C1 Q04828 2/20 0.44
AKR1C4 P17516 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NR4A2 P43354 1/20 0.41
NOTUM Q6P988 1/20 0.40
MYC P01106 1/20 0.40
NR4A1 P22736 1/20 0.40
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL27556655 0.86 AKR1C3 (0.56) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL27138531 0.85 KDM4E (0.46) AKR1C3AKR1C2GAANR4A2KDM4E
SCHEMBL15009548 0.83 TPMT (0.43) HSD17B10ALDH1A1GAAL3MBTL1SLC6A3
SCHEMBL28842448 0.83 HSD17B10 (0.53) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL935778 0.83 HSD17B10 (0.49) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL1229320 0.83 KDM4E (0.43) HSD17B10ALDH1A1GAAL3MBTL1NR4A2
SCHEMBL841684 0.83 CA12 (0.52) GAAMYCKDM4EMEN1KMT2A
SCHEMBL23714914 0.81 CA12 (0.46) HSD17B10ALDH1A1GAAL3MBTL1NR4A2
SCHEMBL31160526 0.81 GAA (0.44) HSD17B10ALDH1A1GAANR4A2NOTUM
SCHEMBL5226978 0.81 POLB (0.50) HSD17B10AKR1C3AKR1C2ALDH1A1GAA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
EP-1697308-B1 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1697308-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005065195-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-07-21 WO disclosed
US-20040235792-A1 Serine protease inhibitors compromising a hydrogen-bond acceptor TRIGEN LIMITED (GB) 2004-11-25 US disclosed
WO-2002057273-A9 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LTD (GB) 2002-11-28 WO disclosed
WO-2002057273-A1 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LIMITED (GB) 2002-07-25 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 (4 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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP HSD17B10 1668/4885AKR1C3 2179/4885AKR1C2 2399/4885
US-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HSD17B10 2733/4885AKR1C3 676/4885AKR1C2 1580/4885
US-20040235792-A1 Serine protease inhibitors compromising a hydrogen-bond acceptor SERPINB1, SPINT2, CTRL HSD17B10 2604/4885AKR1C3 1594/4885AKR1C2 2098/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HSD17B10 2733/4885AKR1C3 676/4885AKR1C2 1580/4885

“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.