SCHEMBL1144545

SCHEMBL1144545

COc1cc(C(=O)O)cc2nc(C)oc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA3 P07451 1/20 0.49
PKM P14618 1/20 0.49
CA5A P35218 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
TPMT P51580 2/20 0.47
PTGS2 P35354 1/20 0.46
CNR2 P34972 1/20 0.45
HSD17B10 Q99714 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL1144796 0.87 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL1144835 0.80 MAPT (0.42) CA12CA1CA2CA4CA6
SCHEMBL22289020 0.79 KMT2A (0.48) CA9HTTESR1
SCHEMBL21437543 0.78 TTR (0.43) TPMTTDP1POLBESR1ESR2
SCHEMBL26579752 0.76 CA12 (0.49) CA12CA1CA2CA4CA6
SCHEMBL21723133 0.75 TPMT (0.45) CA12CA1CA2CA4CA6
SCHEMBL24818516 0.75 RARB (0.41) TPMTTDP1ESR1TSHRALDH1A1
SCHEMBL20022339 0.74 ESR1 (0.40) CA12CA1CA7CA9PKM
SCHEMBL21723145 0.74 TPMT (0.41) CA12CA1CA2CA4CA6
SCHEMBL12856606 0.74 CA12 (0.50) CA12CA1CA2CA4CA6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297163-B1 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-08 EP disclosed
US-8318762-B2 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-11-27 US disclosed
EP-2297163-A1 PYRAZOLOSPIROKETONE ACETYL-C0A CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2011-03-23 EP disclosed
US-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER, INC. (US) 2011-02-03 US disclosed
WO-2009144554-A1 PYRAZOLOSPIROKETONE ACETYL-C0A CARBOXYLASE INHIBITORS PFIZER, INC. (US) 2009-12-03 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 (1 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-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB CA12 2784/4885CA1 1728/4885CA2 1156/4885

“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.