SCHEMBL5521873

SCHEMBL5521873

CC(C)(C)OC(=O)NC1(CO)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
MME P08473 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
CTSL P07711 1/20 0.36
APLNR P35414 1/20 0.36
EPHX1 P07099 1/20 0.36
PPIA P62937 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
BTK Q06187 1/20 0.34
GAA P10253 2/20 0.33
CNR2 P34972 2/20 0.33
CTSK P43235 1/20 0.33
SMO Q99835 1/20 0.33
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 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
SCHEMBL941564 0.98 P2RX7 (0.44) P2RX7TDP1MMEMEN1KMT2A
SCHEMBL12975362 0.98 P2RX7 (0.44) P2RX7TDP1MMEMEN1KMT2A
SCHEMBL1368840 0.96 P2RX7 (0.40) P2RX7TDP1MMEMEN1KMT2A
SCHEMBL56916 0.93 TDP1 (0.41) P2RX7TDP1MEN1KMT2AMAPK1
SCHEMBL10799485 0.86 TDP1 (0.40) P2RX7TDP1MEN1KMT2AMAPK1
SCHEMBL26233677 0.86 CTSL (0.36) P2RX7TDP1MMEMEN1KMT2A
SCHEMBL2055534 0.86 P2RX7 (0.42) P2RX7TDP1MEN1KMT2AMAPK1
SCHEMBL23136344 0.85 EPHX1 (0.35) P2RX7TDP1MMEMEN1KMT2A
SCHEMBL7639921 0.85 P2RX7 (0.42) P2RX7TDP1MEN1KMT2AMAPK1
SCHEMBL1667225 0.85 CTSL (0.39) P2RX7TDP1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005075426-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-08-18 WO claimed
US-20220081737-A1 POND REACTOR FOR RECOVERY OF METALS CYCAD GROUP, LLC 2022-03-17 US disclosed
US-20210340025-A1 Compositions and Methods for Purification of Metals from Steel Making Waste Streams CYCAD GROUP, LLC 2021-11-04 US disclosed
EP-3853177-A1 COMPOSITIONS AND METHODS FOR PURIFICATION OF METALS FROM STEEL MAKING WASTE STREAMS Lixivia, Inc. (US) 2021-07-28 EP disclosed
CN-113165897-A Compositions and methods for purifying metals from steelmaking waste streams 里克希维亚有限公司 2021-07-23 CN disclosed
WO-2020131958-A1 POND REACTOR FOR RECOVERY OF METALS Lixivia, Inc. (US) 2020-06-25 WO disclosed
US-20180223392-A1 COMPOSITIONS AND METHODS FOR RECOVERY OF ALKALINE METALS CYCAD GROUP, LLC 2018-08-09 US disclosed
US-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 US disclosed
US-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 US disclosed
US-8933116-B2 Gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-13 US disclosed
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2014-08-28 US disclosed
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2014-08-28 US disclosed
US-20140154179-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 US disclosed
US-20140018342-A1 GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2014-01-16 US disclosed
US-20140018342-A1 GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2014-01-16 US disclosed
WO-2011103441-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2011-08-25 WO disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
US-20030125389-A1 Beta-amino acid derivatives useful for the treatment of bacterial infections VERSICOR, INC. 2003-07-03 US 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 (5 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-20030125389-A1 Beta-amino acid derivatives useful for the treatment of bacterial infections BCAT2, BCAT1, AADAT P2RX7 4051/4885TDP1 3858/4885MME 81/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 P2RX7 446/4885TDP1 2848/4885MME 4142/4885
US-20140018342-A1 GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 P2RX7 2708/4885TDP1 293/4885MME 164/4885
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO P2RX7 5/4885TDP1 658/4885MME 1132/4885
US-20140154179-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 P2RX7 28/4885TDP1 4641/4885MME 1940/4885

“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.