SCHEMBL1144697

SCHEMBL1144697

CCc1cc(C(=O)OC)cc2cn[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ACACA Q13085 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FUT7 Q11130 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
SCHEMBL4403119 0.83 ACACB (0.42) ACACBKDM4EALDH1A1MAPK1
SCHEMBL1145116 0.83 ACACB (0.42) ACACBALDH1A1TSHRACACAMAPK1
SCHEMBL11577765 0.82 TSHR (0.49) ACACBKDM4EALDH1A1TSHRCA12
SCHEMBL15687279 0.82 ACACB (0.51) ACACBKDM4EALDH1A1TSHRACACA
SCHEMBL15683151 0.81 KDM4E (0.44) ACACBKDM4EALDH1A1TSHRCA12
SCHEMBL18301340 0.81 KDM4E (0.44) ACACBKDM4EALDH1A1TSHRCA12
SCHEMBL4137028 0.79 ACACB (0.40) ACACB
SCHEMBL2671481 0.77 RXRA (0.48) ACACBKDM4EALDH1A1TSHRCA12
SCHEMBL9222771 0.76 TRPA1 (0.39) ACACBKDM4EALDH1A1LMNAGAA
SCHEMBL15116371 0.73 PSMD14 (0.49) KDM4EALDH1A1TSHRCA12CA1

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 ACACB 3/4885KDM4E 1055/4885ALDH1A1 164/4885

“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.