SCHEMBL4293303

SCHEMBL4293303

CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc3[nH]cnc3c2)C1c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ ADORA2B P29275 2/20 0.40
▸ MCL1 Q07820 1/20 0.38
▸ POLB P06746 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ QPCT Q16769 5/20 0.34

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
SCHEMBL14196650 0.90 ADORA2B (0.38) L3MBTL1ADORA2BMCL1POLBALDH1A1
SCHEMBL4290968 0.89 ALDH1A1 (0.47) L3MBTL1MCL1POLBALDH1A1MAPT
SCHEMBL4300158 0.89 L3MBTL1 (0.43) L3MBTL1ADORA2BMCL1POLBALDH1A1
SCHEMBL4300571 0.86 RXFP1 (0.43) L3MBTL1MCL1POLBALDH1A1MAPT
SCHEMBL4299447 0.86 MEN1 (0.37) L3MBTL1POLBALDH1A1MAPTHTT
SCHEMBL4301240 0.84 NPC1 (0.38) L3MBTL1ADORA2BMCL1POLBALDH1A1
SCHEMBL4298716 0.83 NPC1 (0.41) L3MBTL1MCL1POLBALDH1A1MAPT
SCHEMBL4298512 0.83 QPCT (0.36) ALDH1A1HTTHSD17B10KDM4EMEN1
SCHEMBL4300404 0.82 CCR1 (0.43) ALDH1A1KDM4EMEN1KMT2AQPCT
SCHEMBL4300278 0.82 MEN1 (0.37) ALDH1A1HSD17B10KDM4EMEN1KMT2A

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
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
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

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 L3MBTL1 817/4885ADORA2B 2169/4885MCL1 3461/4885

“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.

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