SCHEMBL4303386

SCHEMBL4303386

CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc3[nH]cnc3c2)C1CCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 11/20 0.34
PDE2A O00408 3/20 0.32
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 0.32
PDE1C Q14123 2/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
HTT P42858 1/20 0.31
QPCTL Q9NXS2 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4291504 0.89 CCR1 (0.38) QPCTCTNNB1WNT3AQPCTLMEN1
SCHEMBL4306355 0.82 CCR1 (0.39) QPCTQPCTLMEN1ALDH1A1HPGD
SCHEMBL4298512 0.81 QPCT (0.36) QPCTPDE2APDE1APDE1BPDE1C
SCHEMBL4296200 0.81 CCR2 (0.38) QPCT
SCHEMBL4296935 0.79 QPCT (0.37) QPCTQPCTLMEN1ALDH1A1HPGD
SCHEMBL4300278 0.79 MEN1 (0.37) QPCTQPCTLMEN1ALDH1A1HPGD
SCHEMBL4300392 0.78 CCR1 (0.38) QPCT
SCHEMBL4300404 0.78 CCR1 (0.43) QPCTMEN1ALDH1A1HPGDKMT2A
SCHEMBL4299447 0.78 MEN1 (0.37) QPCTHTTMEN1ALDH1A1HPGD
SCHEMBL4298461 0.76 CCR1 (0.39) QPCTQPCTL

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 11 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
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 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
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 4/4885PDE2A 715/4885PDE1A 2027/4885

“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.