SCHEMBL4297978

SCHEMBL4297978

O=C(O)CC1=C(O)C(=O)N(c2ccc3[nH]cnc3c2)C1c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
RXFP1 Q9HBX9 2/20 0.46
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
QPCT Q16769 7/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.38
MAP3K5 Q99683 1/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL4299648 0.86 RXFP1 (0.46) KDM4ERXFP1HPGDHTTQPCT
SCHEMBL4297955 0.85 RXFP1 (0.44) RXFP1HPGDHTTQPCTMAPT
SCHEMBL4306616 0.83 RXFP1 (0.49) RXFP1HPGDHTTQPCTHIF1A
SCHEMBL4298891 0.81 ALDH1A1 (0.43) GAAALDH1A1KDM4ETDP1RXFP1
SCHEMBL4296993 0.81 RXFP1 (0.43) RXFP1QPCTMAPTSMN1; SMN2MAP3K5
SCHEMBL4299659 0.80 GAA (0.46) GAAALDH1A1KDM4ETDP1RXFP1
SCHEMBL4297019 0.80 GAA (0.43) GAAALDH1A1KDM4ETDP1KMT2A
SCHEMBL4300028 0.79 ALDH1A1 (0.44) GAAALDH1A1KDM4ETDP1KMT2A
SCHEMBL4301065 0.77 GAA (0.43) GAAALDH1A1KDM4ETDP1KMT2A
SCHEMBL1444790 0.77 QPCT (0.58) RXFP1QPCTMAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089383-B1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2015-09-16 EP claimed
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US claimed
EP-2089383-B1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2015-09-16 EP disclosed
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US disclosed
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
WO-2008055945-A1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2008-05-15 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-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL GAA 529/4885ALDH1A1 896/4885KDM4E 2532/4885

“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.