SCHEMBL85867

SCHEMBL85867

CCOC(=O)Cc1ccc(NC(=O)COCCCl)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 5/20 0.55
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SIRT5 Q9NXA8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL2635699 0.84 MAPT (0.58) KLK7MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3096926 0.82 NR1H4 (0.48) KLK7SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL4208672 0.82 RAB9A (0.68) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL10682388 0.78 TP53 (0.58) KLK7MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL10685516 0.76 PPID (0.63) KLK7MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL14450265 0.75 MAPT (0.60) KLK7MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL28029676 0.75 MEN1 (0.48) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL27430785 0.75 ENPP2 (0.58) KLK7MAPTSMN1; SMN2LMNAHPGD
SCHEMBL27967069 0.74 ALDH1A1 (0.55) KLK7MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL2946374 0.74 MEN1 (0.64) MAPTLMNAALDH1A1HPGDNPC1

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
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO disclosed
WO-2004087646-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2004-10-14 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 (2 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX KLK7 2112/4885MAPT 3896/4885SMN1; SMN2 2860/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB KLK7 3965/4885MAPT 2660/4885SMN1; SMN2 3650/4885

“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.