SCHEMBL338697

SCHEMBL338697

Cc1cc(=O)c(OCc2ccccc2)c(C(=O)O)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.50
EDNRA P25101 1/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
MMP3 P08254 2/20 0.43
MMP12 P39900 2/20 0.43
CREB1 P16220 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 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
SCHEMBL8145094 0.92 IDH1 (0.44) IDH1EDNRALMNAGAAPOLB
SCHEMBL338935 0.89 IDH1 (0.48) IDH1EDNRALMNAGAAPOLB
SCHEMBL337855 0.87 IDH1 (0.49) IDH1EDNRALMNAGAAPOLB
SCHEMBL10442342 0.85 EDNRA (0.45) EDNRALMNAGAAPOLBHPGD
SCHEMBL15910022 0.82 LMNA (0.61) IDH1LMNAGAAPOLBHPGD
SCHEMBL22872659 0.82 TEAD4 (0.43) EDNRALMNAGAAHPGDALDH1A1
SCHEMBL339006 0.82 BRD4 (0.47) IDH1LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL13395924 0.82 BRD4 (0.50) IDH1LMNAGAAHPGDALDH1A1
SCHEMBL4328309 0.82 LMNA (0.44) IDH1EDNRALMNAGAAPOLB
SCHEMBL10290056 0.81 EDNRA (0.41) EDNRALMNAGAAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-11 US disclosed
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-11 US disclosed
WO-2017156194-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-14 WO disclosed
WO-2017156194-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-14 WO disclosed
US-20150291618-A1 CARBAMOYLPYRIDONE DERIVATIVES CONCERT PHARMACEUTICALS INC (US) 2015-10-15 US disclosed
US-20140213553-A1 CARBAMOYLPYRIDONE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2014-07-31 US disclosed
EP-1687298-B1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC (CA) 2012-12-26 EP disclosed
US-8318945-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
US-6506911-B2 Reacting a 2-(1-hydroxyalkyl)-3-hydroxypyran-4(1H)one compound with benzaldehyde dimethyl acetal to form 8-oxo-4,8-dihydro-2-phenyl-4h(3,2-d)-m-dioxin, reacting it with an amine compound to form an intermediate, then reducing BTG INTERNATIONAL LIMITED (GB) 2003-01-14 US disclosed
EP-0984934-B1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNAT LTD COMPANY NO 26 (GB) 2003-01-08 EP disclosed
US-6476229-B1 Processes for the manufacturing of 3-hydroxy-N,1,6-trialkyl-4-oxo-1,4-dihydropyridine-2-carboxamide APOTEX, INC. (CA) 2002-11-05 US disclosed
US-6472532-B1 INEXPENSIVE METHOD USING KOJIC ACID AS SAFE STARTING MATERIAL FOR SYNTHESIS OF ORALLY ACTIVE IRON CHELATORS APOTEX, INC. (CA) 2002-10-29 US disclosed
US-6448273-B1 SUCH AS 2,6-DIMETHOXYMETHYL-1-METHYL-3-BENZYLOXPYRIDIN-4(1H)-ONE; TREATING DISORDERS ASSOCIATED WITH IRON DISTRIBUTION AND IRON DEPENDANT PARASITES; REDUCED LEVELS OF ACTIVE AGENT; SELECTIVE TARGETING TO TISSUES AND LIVER; METABOLIC STABILITY BTG INTERNATIONAL LIMITED (GB) 2002-09-10 US disclosed
US-6426418-B1 REACTING A 3-OXY-2-HYDROXYALKYL-4H-PYRAN-4-ONE DERIVATIVE WITH SODIUM HYPOCHLORITE SOLUTION, POTASSIUM BROMIDE, TEMPO, AND A PHASE TRANSFER CATALYST TO PRODUCE A 3-OXY-2-CARBOXY-4H-PYRAN-4-ONE DERIVATIVE APOTEX, INC. (CA) 2002-07-30 US disclosed
US-20020068758-A1 Novel orally active iron (III) chelators BTG INTERNATIONAL LIMITED. 2002-06-06 US disclosed
US-6335353-B1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVE; IRON DEFICIENCY ANEMIA AND THALASSEMIA TREATMENT BTG INTERNATIONAL LIMITED (GB) 2002-01-01 US disclosed
EP-0984934-A1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNATIONAL LIMITED (Company No. 2664412) (GB) 2000-03-15 EP disclosed
WO-1998054138-A1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNATIONAL LIMITED (GB) 1998-12-03 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 (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-20140213553-A1 CARBAMOYLPYRIDONE DERIVATIVES IDH1, CDKN1A, TYMP IDH1 1/4885EDNRA 4097/4885LMNA 3661/4885
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE POLRMT, RNASE1, POLM IDH1 2423/4885EDNRA 4049/4885LMNA 743/4885
US-20020068758-A1 Novel orally active iron (III) chelators HAMP, HRH2, GRHPR IDH1 808/4885EDNRA 467/4885LMNA 2634/4885
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease POLRMT, RNASE1, POLM IDH1 2423/4885EDNRA 4049/4885LMNA 743/4885
US-20150291618-A1 CARBAMOYLPYRIDONE DERIVATIVES CDKN1A, IDH1, IMPDH1 IDH1 2/4885EDNRA 4091/4885LMNA 3728/4885

“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.