SCHEMBL899172

SCHEMBL899172

COc1cc(C(=O)O)cc(N(C)CC(=O)OC(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
STING1 Q86WV6 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
PKM P14618 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
GSTO1 P78417 1/20 0.32
CASR P41180 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19330154 0.76 KDM4E (0.53) KDM4EALDH1A1LMNATDP1CA12
Hydrochloric Acid SCHEMBL4878895 0.74 ALDH1A1 (0.42) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL4871019 0.73 ALDH1A1 (0.41) KDM4EALDH1A1
SCHEMBL668838 0.72 KDM4E (0.69) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL14798395 0.68 GABRP (0.40) KDM4EALDH1A1
SCHEMBL18767236 0.66 KDM4E (0.56) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL23684785 0.66 KCNQ3 (0.38) PKM
SCHEMBL899267 0.66 KDM4E (0.44) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL19330396 0.66 KDM4E (0.55) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL5365414 0.65 ALDH1A1 (0.58) KDM4EALDH1A1LMNATDP1CA12

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 41 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-20230322777-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC. (US) 2023-10-12 US disclosed
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-11673890-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2023-06-13 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-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-10822335-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2020-11-03 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
US-8859577-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 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
US-20130190334-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2013-07-25 US 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
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 (6 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 KDM4E 2670/4885ALDH1A1 159/4885LMNA 1318/4885
US-20230322777-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, ACACB, PC KDM4E 1995/4885ALDH1A1 82/4885LMNA 1522/4885
US-11673890-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors ACACA, ACACB, PC KDM4E 1963/4885ALDH1A1 77/4885LMNA 1636/4885
US-20210047325-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC KDM4E 1963/4885ALDH1A1 77/4885LMNA 1636/4885
US-20150011470-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC KDM4E 1995/4885ALDH1A1 82/4885LMNA 1522/4885
US-10822335-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors ACACA, ACACB, PC KDM4E 1995/4885ALDH1A1 82/4885LMNA 1522/4885

“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.