SCHEMBL6802864

SCHEMBL6802864

N#C[CH]COCc1cccc(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.42
MRGPRX4 Q96LA9 5/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
PARP10 Q53GL7 3/20 0.40
PARP15 Q460N3 2/20 0.40
PARP14 Q460N5 2/20 0.40
MAOB P27338 2/20 0.40
MEP1B Q16820 1/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FOLH1 Q04609 1/20 0.38

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
SCHEMBL6800886 0.87 LOXL2 (0.39) MRGPRX4CYP4F2CYP4A11ALDH1A1NPSR1
SCHEMBL6796241 0.82 PARP10 (0.50) PARP1PARP10PARP15PARP14MAOB
SCHEMBL6802007 0.81 KMT2A (0.49) PARP10PARP15PARP14MAOB
SCHEMBL4987201 0.78 MRGPRX4 (0.43) PARP1MRGPRX4PARP10MAOBMEP1B
SCHEMBL14283958 0.76 PARP1 (0.50) PARP1MRGPRX4PARP10PARP15PARP14
SCHEMBL2857119 0.72 ENPP2 (0.50) PARP1PARP10PARP15PARP14MAOB
SCHEMBL2824632 0.72 PARP1 (0.56) PARP1MRGPRX4CYP4F2CYP4A11PARP10
SCHEMBL6802386 0.72 KMT2A (0.37) PARP1PARP10MAOBALDH1A1
SCHEMBL6802522 0.71 PBRM1 (0.38) MRGPRX4ALDH1A1
SCHEMBL6801262 0.70 KMT2A (0.36) MRGPRX4ALDH1A1

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
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 US claimed
US-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 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 (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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV PARP1 2122/4885MRGPRX4 534/4885CYP4F2 3497/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV PARP1 2122/4885MRGPRX4 534/4885CYP4F2 3497/4885

“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.