SCHEMBL521172

SCHEMBL521172

CC(C)(C)OC(=O)c1cccc(OBOc2cccc(C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
STAT3 P40763 1/20 0.40
PARP1 P09874 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL11885384 0.89 SLC7A5 (0.47) SLC7A5ESR1ESR2CES2CES1
SCHEMBL30421033 0.83 CES2 (0.62) SLC7A5ESR1ESR2CES2CES1
SCHEMBL8456234 0.83 CES2 (0.62) SLC7A5ESR1ESR2CES2CES1
SCHEMBL110296 0.82 SLC7A5 (0.58) SLC7A5ESR1ESR2STAT3GABRA1
SCHEMBL177641 0.81 SMN1; SMN2 (0.55) ESR1ESR2CES2CES1PARP1
Water SCHEMBL28897664 0.81 SLC7A5 (0.56) SLC7A5ESR1ESR2STAT3GABRA1
SCHEMBL28350987 0.81 SLC7A5 (0.56) SLC7A5ESR1ESR2STAT3GABRA1
Hydrogen Peroxide SCHEMBL27146001 0.81 SLC7A5 (0.60) SLC7A5ESR1ESR2STAT3GABRA1
SCHEMBL30625924 0.81 KMT2A (0.52) SLC7A5ESR1ESR2CES2CES1
SCHEMBL13026720 0.80 SLC7A5 (0.56) SLC7A5STAT3GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322777-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC. (US) 2023-10-12 US disclosed
US-11673890-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2023-06-13 US disclosed
US-20210047325-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2021-02-18 US disclosed
US-10822335-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2020-11-03 US disclosed
US-20190218218-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2019-07-18 US disclosed
US-10294225-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2019-05-21 US disclosed
US-20180162858-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2018-06-14 US disclosed
US-9908883-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2018-03-06 US disclosed
US-20160347752-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2016-12-01 US disclosed
EP-2621493-B1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER (US) 2016-08-17 EP disclosed
US-20150011470-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-08 US disclosed
US-8859577-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-20130190334-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2013-07-25 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
US-20100317621-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-12-16 US disclosed
EP-2220096-A1 BETA-LACTAMASE INHIBITORS Protez Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
WO-2009064413-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. (US) 2009-05-22 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 (12 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-20130190334-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 2515/4885ESR1 2828/4885ESR2 2472/4885
US-20230322777-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, ACACB, PC SLC7A5 3013/4885ESR1 2983/4885ESR2 2852/4885
US-20100317621-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB SLC7A5 346/4885ESR1 2915/4885ESR2 2546/4885
US-11673890-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors ACACA, ACACB, PC SLC7A5 3042/4885ESR1 2974/4885ESR2 2858/4885
US-20190218218-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 2904/4885ESR1 3022/4885ESR2 2870/4885
US-20160347752-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 3013/4885ESR1 2983/4885ESR2 2852/4885
US-10294225-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors ACACA, ACACB, PC SLC7A5 3013/4885ESR1 2983/4885ESR2 2852/4885
US-20210047325-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 3042/4885ESR1 2974/4885ESR2 2858/4885
US-20150011470-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 3013/4885ESR1 2983/4885ESR2 2852/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 SLC7A5 1876/4885ESR1 3401/4885ESR2 3566/4885
US-10822335-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors ACACA, ACACB, PC SLC7A5 3013/4885ESR1 2983/4885ESR2 2852/4885
US-20180162858-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 3013/4885ESR1 2983/4885ESR2 2852/4885

“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.