SCHEMBL4124427

SCHEMBL4124427

COP(=O)(CN1C(=O)c2ccccc2C1=O)OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
PLIN1 O60240 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
PLIN5 Q00G26 1/20 0.53
ABHD5 Q8WTS1 1/20 0.53
RAB9A P51151 1/20 0.45
RPS6KA2 Q15349 2/20 0.44
CASP3 P42574 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL1305927 0.82 DRD3 (0.44)
SCHEMBL4124410 0.82 ALDH1A1 (0.54) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL2705935 0.82 HPGD (0.50) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL13885122 0.80 ALDH1A1 (0.50) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL24359432 0.79 RAB9A (0.50) ALDH1A1MAPTHPGDRAB9ACASP3
SCHEMBL17427523 0.75 HPGD (0.50) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL28492833 0.75 ELANE (0.58) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL3421267 0.75 CA12 (0.52) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL11949603 0.75 CASP3 (0.47) ALDH1A1CASP3CA12CA9
SCHEMBL12238555 0.74 ELANE (0.43)

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987284-B2 Phosphorus containing quinazoline compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. 2012-08-02 US disclosed
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS JIANG TAO 2009-07-30 US disclosed
US-7514556-B2 Inhibitors of β-lactamase METHYLGENE INC. (CA) 2009-04-07 US disclosed
US-7514556-B2 Inhibitors of β-lactamase METHYLGENE INC. (CA) 2009-04-07 US disclosed
CN-101125864-A Heteroaromatic inhibitor for fructose-1,6-bisphosphatase METABASIS THERAPEUTICS INC (US) 2008-02-20 CN disclosed
US-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2008-01-17 US disclosed
US-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes METABASIS THERAPEUTICS, INC. (US) 2008-01-03 US disclosed
US-7312219-B2 Heteroaromatic inhibitors of fructose 1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-12-25 US disclosed
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase METHYLGENE, INC. (CA) 2007-12-20 US disclosed
WO-2000038666-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2000-07-06 WO disclosed
WO-2000014095-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 2000-03-16 WO disclosed
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
US-4211703-A CHEMICAL INTERMEDIATES FOR CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1980-07-08 US disclosed
US-4189573-A CHEMICAL INTERMEDIATES SMITHKLINE CORPORATION (US) 1980-02-19 US disclosed
US-4112086-A BACTERICIDE SMITHKLINE CORPORATION (US) 1978-09-05 US disclosed
US-4022761-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US 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 (5 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-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 ALDH1A1 640/4885MAPT 2935/4885PLIN1 861/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 ALDH1A1 1609/4885MAPT 1651/4885PLIN1 1455/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 ALDH1A1 1276/4885MAPT 3410/4885PLIN1 993/4885
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE PPIP5K2, PIK3CA, PHKA1 ALDH1A1 4398/4885MAPT 4709/4885PLIN1 1061/4885
US-20080004226-A1 Combination of FBPase Inhibitors and Insulin Sensitizers for the Treatment of Diabetes FBP1, G6PC1, IRS1 ALDH1A1 3879/4885MAPT 2930/4885PLIN1 733/4885

“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.