SCHEMBL4293592

SCHEMBL4293592

CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc3[nH]cnc3c2)C1c1cccc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.51
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
P2RX3 P56373 12/20 0.41
CYP2C9 P11712 8/20 0.41

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
SCHEMBL4300306 0.90 ALDH1A1 (0.53) QPCTKDM4EALDH1A1HPGDRXFP1
SCHEMBL4302319 0.89 QPCT (0.51) QPCTRXFP1P2RX3CYP2C9
SCHEMBL4296885 0.87 RXFP1 (0.43) QPCTRXFP1P2RX3CYP2C9
SCHEMBL4305666 0.86 QPCT (0.55) QPCTKDM4EALDH1A1HPGDRXFP1
SCHEMBL3810562 0.86 QPCT (0.51) QPCTKDM4EALDH1A1HPGDRXFP1
SCHEMBL29410452 0.86 QPCT (0.51) QPCTKDM4EALDH1A1HPGDRXFP1
Hydrochloric Acid SCHEMBL2382192 0.85 QPCT (0.54) QPCTKDM4EALDH1A1HPGDRXFP1
SCHEMBL4295817 0.85 QPCT (0.43) QPCTKDM4EALDH1A1HPGDRXFP1
SCHEMBL4299215 0.80 RXFP1 (0.42) QPCTRXFP1P2RX3CYP2C9
SCHEMBL4300571 0.80 RXFP1 (0.43) KDM4EALDH1A1RXFP1P2RX3CYP2C9

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 QPCT 4/4885KDM4E 2532/4885ALDH1A1 896/4885

“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.