SCHEMBL899028

SCHEMBL899028

CB(O)c1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
STAT3 P40763 1/20 0.43
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
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL521171 0.89 SLC7A5 (0.49) SLC7A5STAT3GABRA1GABRG2GABRB3
SCHEMBL22960551 0.84 SLC7A5 (0.46) SLC7A5STAT3GABRA1GABRG2GABRB3
SCHEMBL393305 0.83 SLC7A5 (0.48) SLC7A5STAT3GABRA1GABRG2GABRB3
SCHEMBL18707121 0.83 SLC7A5 (0.47) SLC7A5STAT3GABRA1GABRG2GABRB3
SCHEMBL110296 0.82 SLC7A5 (0.58) SLC7A5STAT3GABRA1GABRG2GABRB3
Water SCHEMBL28897664 0.81 SLC7A5 (0.56) SLC7A5STAT3GABRA1GABRG2GABRB3
SCHEMBL28350987 0.81 SLC7A5 (0.56) SLC7A5STAT3GABRA1GABRG2GABRB3
Hydrogen Peroxide SCHEMBL27146001 0.81 SLC7A5 (0.60) SLC7A5STAT3GABRA1GABRG2GABRB3
SCHEMBL16426158 0.80 CA12 (0.49) SLC7A5STAT3GABRA1GABRG2GABRB3
SCHEMBL28714346 0.78 PARP1 (0.52) SLC7A5ALDH1A1TDP1CYP2C19ALOX15

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 17 patents. 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-20150376185-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-12-31 US disclosed
US-9145416-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-29 US 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
EP-2621493-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2013-08-07 EP disclosed
US-20130190334-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2013-07-25 US disclosed
WO-2012042433-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-04-05 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 (11 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 2515/4885STAT3 2979/4885GABRA1 2662/4885
US-20230322777-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, ACACB, PC SLC7A5 3013/4885STAT3 2633/4885GABRA1 3390/4885
US-11673890-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors ACACA, ACACB, PC SLC7A5 3042/4885STAT3 2615/4885GABRA1 3421/4885
US-20190218218-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 2904/4885STAT3 2656/4885GABRA1 3435/4885
US-20160347752-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 3013/4885STAT3 2633/4885GABRA1 3390/4885
US-10294225-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors ACACA, ACACB, PC SLC7A5 3013/4885STAT3 2633/4885GABRA1 3390/4885
US-20150376185-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 3013/4885STAT3 2633/4885GABRA1 3390/4885
US-20210047325-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 3042/4885STAT3 2615/4885GABRA1 3421/4885
US-20150011470-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 3013/4885STAT3 2633/4885GABRA1 3390/4885
US-10822335-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors ACACA, ACACB, PC SLC7A5 3013/4885STAT3 2633/4885GABRA1 3390/4885
US-20180162858-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC SLC7A5 3013/4885STAT3 2633/4885GABRA1 3390/4885

“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.