SCHEMBL2397158

SCHEMBL2397158

COc1cccc(CCC(=O)O)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
PTGER1 P34995 3/20 0.47
PTGER4 P35408 3/20 0.47
PTGER3 P43115 3/20 0.47
PTGER2 P43116 3/20 0.47
POLB P06746 2/20 0.45
FFAR1 O14842 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PPARA Q07869 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PARP1 P09874 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL6112808 0.89 PPARA (0.51) LMNAPTGER1PTGER4PTGER3PTGER2
SCHEMBL11111891 0.85 POLB (0.50) LMNAPOLBFFAR1NPSR1SMN1; SMN2
SCHEMBL11198865 0.83 CXCL8 (0.53) LMNAPOLBCA12CA1CA2
SCHEMBL362209 0.83 LMNA (0.59) LMNAPOLBFFAR1NPSR1SMN1; SMN2
SCHEMBL29590071 0.83 LMNA (0.59) LMNAPOLBFFAR1NPSR1SMN1; SMN2
SCHEMBL490691 0.82 CTSG (0.56) LMNAPTGER1PTGER4PTGER3PTGER2
SCHEMBL3691207 0.82 ALOX5 (0.59) LMNAPOLBFFAR1CA12CA1
SCHEMBL3954801 0.82 LMNA (0.50) LMNAPTGER1PTGER4PTGER3PTGER2
SCHEMBL27330479 0.82 CYP4F2 (0.56) POLBPPARASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7413528 0.81 LMNA (0.57) LMNAPOLBFFAR1NPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
EP-2542549-A2 INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2013-01-09 EP disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
WO-2011107530-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-09 WO disclosed
CN-1044652-A Pyrrolidine compound and its pharmaceutical use EISAI CO LTD (JP) 1990-08-15 CN 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-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS LMNA 3165/4885PTGER1 3108/4885PTGER4 3487/4885

“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.