SCHEMBL1752172

SCHEMBL1752172

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(-c2ccc(Cl)cc2)sc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
PTPRA P18433 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
ACLY P53396 1/20 0.42
IKBKB O14920 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1751714 0.88 MAPT (0.57) PTPN1PTPRAMAPTKDM4ENPC1
SCHEMBL4975602 0.76 PTPN1 (0.65) PTPN1PTPRAMAPTKDM4EACLY
SCHEMBL12673430 0.73 MAPK11 (0.61)
SCHEMBL13992657 0.72 PAX8 (0.36)
SCHEMBL2176910 0.71 PTPN1 (0.58) PTPN1PTPRAMAPTKDM4ENPC1
SCHEMBL2158353 0.70 PTPN1 (0.45) PTPN1PTPRAMAPTKDM4ERAB9A
SCHEMBL2252380 0.69 ACLY (0.47) PTPN1PTPRAMAPTACLY
SCHEMBL17226348 0.69 KDM4E (0.43) MAPTKDM4ENPC1CASP3RAB9A
SCHEMBL1144476 0.68 IKBKB (0.77) PTPN1PTPRAMAPTKDM4ENPC1
SCHEMBL4870380 0.68 PTPN1 (0.58) PTPN1PTPRAMAPTKDM4ENPC1

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 12 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
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
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
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US 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 PTPN1 1195/4885PTPRA 3523/4885MAPT 2113/4885
US-20110160207-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 PTPN1 1195/4885PTPRA 3523/4885MAPT 2113/4885

“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.