SCHEMBL1144962

SCHEMBL1144962

Cc1cc(C(=O)O)cc2ccc(=O)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EIF4A3 P38919 1/20 0.40
TTR P02766 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
NSD2 O96028 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TPMT P51580 1/20 0.38
HSD17B10 Q99714 2/20 0.38
DAO P14920 1/20 0.38
DDO Q99489 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL10367636 0.82 RXRA (0.47) MEN1KMT2AGRIK1GRIA1GRIA2
SCHEMBL8921146 0.81 DAO (0.41) MEN1KMT2AEIF4A3HRH3HSD17B10
SCHEMBL8919196 0.81 CA12 (0.50) TTRCA12CA9TPMTALDH1A1
SCHEMBL8919071 0.80 EIF4A3 (0.54) MEN1KMT2AEIF4A3HSD17B10USP2
SCHEMBL9095904 0.77 DAO (0.45) CA12CA9NSD2HSD17B10DAO
SCHEMBL8919040 0.77 PPARG (0.38) MEN1KMT2AEIF4A3HRH3HSD17B10
SCHEMBL4287170 0.77 CA12 (0.53) KMT2ACA12CA9HSD17B10DAO
SCHEMBL7926770 0.76 HSD17B10 (0.47) MEN1KMT2ATTRHRH3TPMT
SCHEMBL8917658 0.75 APEX1 (0.54) MEN1KMT2AGRIK1GRIA1GRIA2
SCHEMBL1057475 0.74 CA12 (0.42) CA12CA9HSD17B10DAODDO

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 8 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
US-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 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 MEN1 3715/4885KMT2A 2105/4885EIF4A3 1192/4885

“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.