SCHEMBL4296944

SCHEMBL4296944

CC(=O)C1=C(O)C(=O)N(c2ccc3[nH]cnc3c2)C1c1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.55
RXFP1 Q9HBX9 6/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 4/20 0.47
CCR2 P41597 2/20 0.46
HIF1A Q16665 1/20 0.46
LMNA P02545 1/20 0.45
P2RX3 P56373 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL4305600 0.90 CCR1 (0.43) CCR1RXFP1MEN1KMT2AHPGD
SCHEMBL4295515 0.89 CCR1 (0.65) CCR1RXFP1MEN1KMT2AHPGD
SCHEMBL4300404 0.89 CCR1 (0.43) CCR1RXFP1MEN1KMT2AHPGD
SCHEMBL4302364 0.89 QPCT (0.44) CCR1RXFP1MEN1KMT2AHPGD
SCHEMBL4299353 0.88 P2RX3 (0.48) CCR1RXFP1MEN1KMT2AHPGD
SCHEMBL4295468 0.84 HPGD (0.51) CCR1RXFP1MEN1KMT2AHPGD
SCHEMBL17082363 0.84 CCR1 (0.47) CCR1RXFP1MEN1KMT2AHPGD
SCHEMBL22900543 0.84 CCR1 (0.52) CCR1RXFP1MEN1KMT2AHPGD
SCHEMBL4295063 0.84 QPCT (0.40) CCR1RAB9A
SCHEMBL4297913 0.83 RXFP1 (0.51) CCR1RXFP1MEN1KMT2AHPGD

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 10 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
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 CCR1 2155/4885RXFP1 1183/4885MEN1 3171/4885

“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.