SCHEMBL1752243

SCHEMBL1752243

N#CC(=COS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
HSD11B1 P28845 2/20 0.41
PTGS2 P35354 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL1752242 1.00 TDP1 (0.45) TDP1ENPP3ENPP1HSD11B1PTGS2
SCHEMBL13832855 0.86 ENPP3 (0.44) ENPP3ENPP1PTGS2KMT2AALDH1A1
SCHEMBL9851102 0.81 NPSR1 (0.42) TDP1PTGS2KMT2AMEN1ALDH1A1
SCHEMBL3833204 0.81 PTGS2 (0.44) TDP1PTGS2KMT2AMEN1ALDH1A1
SCHEMBL3833202 0.81 PTGS2 (0.44) TDP1PTGS2KMT2AMEN1ALDH1A1
SCHEMBL14156028 0.74 CES2 (0.46) TDP1KMT2AMEN1ALDH1A1PKM
SCHEMBL9514545 0.74 SMN1; SMN2 (0.43) PTGS2KMT2AMEN1ALDH1A1LMNA
SCHEMBL9514535 0.74 SMN1; SMN2 (0.43) PTGS2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8125389 0.73 KMT2A (0.40) HSD11B1KMT2AMEN1ALDH1A1PKM
SCHEMBL8125386 0.73 KMT2A (0.40) HSD11B1KMT2AMEN1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468717-B1 Heterocyclic Amide Compounds Useful as Kinase Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-11-20 EP disclosed
US-8404689-B2 Heterocyclic amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
EP-2468717-A1 Heterocyclic Amide Compounds Useful as Kinase Inhibitors Bristol-Myers Squibb Company (US) 2012-06-27 EP disclosed
US-20110160207-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-06-30 US disclosed
US-7935696-B2 e.g. 5-(4-Chlorophenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)furan-2-carboxamide; p38 alpha and beta kinase inhibitor; antiinflammatory agent; asthma, inflammatory bowel disease, osteoporosis, psoriasis, graft vs. host rejection, atherosclerosis, multiple myeloma, pain, myocardial ischemia BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-03 US disclosed
EP-2083816-A2 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-05 EP disclosed
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
WO-2008057775-A2 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 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 (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-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 TDP1 1663/4885ENPP3 1623/4885ENPP1 1008/4885
US-20110160207-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 TDP1 1663/4885ENPP3 1623/4885ENPP1 1008/4885

“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.