SCHEMBL6802386

SCHEMBL6802386

N#C[CH]COCc1ccc(C(=O)OC(N)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PARP10 Q53GL7 3/20 0.36
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32
PARP1 P09874 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL6796241 0.85 PARP10 (0.50) KMT2APARP10ALDH1A1CA1CA2
SCHEMBL6800886 0.84 LOXL2 (0.39) RAB9AALDH1A1LOXL2MAPK1
SCHEMBL6802864 0.72 PARP1 (0.42) PARP10ALDH1A1MAOBPARP1
SCHEMBL30849215 0.71 PARP10 (0.42) KMT2APARP10RAB9AALDH1A1SMN1; SMN2
SCHEMBL6802007 0.70 KMT2A (0.49) KMT2AMEN1PARP10MAOBTDP1
SCHEMBL28097395 0.69 PARP15 (0.56) KMT2APARP10RAB9AALDH1A1MAPT
SCHEMBL5759430 0.66 MEN1 (0.39) KMT2AMEN1RAB9AALDH1A1TSHR
Water SCHEMBL27554784 0.64 LMNA (0.56) KMT2APARP10RAB9AALDH1A1SMN1; SMN2
SCHEMBL2145960 0.64 LMNA (0.53) KMT2AMEN1PARP10RAB9AALDH1A1
SCHEMBL27910944 0.64 PARP10 (0.68) KMT2APARP10ALDH1A1TSHRMAPT

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 KMT2A 4408/4885MEN1 2882/4885PARP10 2071/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KMT2A 4408/4885MEN1 2882/4885PARP10 2071/4885

“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.