SCHEMBL6370728

SCHEMBL6370728

CC(=O)CC(C)c1ccc(C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.46
PARP4 Q9UKK3 2/20 0.46
PARP1 P09874 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
STAT3 P40763 1/20 0.44
ACHE P22303 1/20 0.43
NOS1 P29475 1/20 0.43
HSD17B10 Q99714 2/20 0.41
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP16 Q8N5Y8 1/20 0.39
PARP11 Q9NR21 1/20 0.39
TSHR P16473 2/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39

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
SCHEMBL14236756 0.87 PARP10 (0.47) PARP10PARP4PARP1CA1CA2
SCHEMBL11477030 0.83 GRIA4 (0.49) CA1CA2STAT3ACHEFFAR1
SCHEMBL11134845 0.81 STAT3 (0.44) STAT3ACHEHSD17B10FFAR1ALDH1A1
SCHEMBL5616922 0.81 PARP10 (0.48) PARP10PARP4PARP1CA1CA2
SCHEMBL1250863 0.81 ALDH1A1 (0.50) PARP10PARP4PARP1CA1CA2
SCHEMBL11135957 0.79 FFAR1 (0.49) HSD17B10FFAR1ALDH1A1KMT2APOLB
SCHEMBL10241629 0.79 ESR1 (0.53) CA1CA2STAT3ACHEFFAR1
SCHEMBL14731823 0.79 ACHE (0.67) STAT3ACHEFFAR1ALDH1A1TSHR
SCHEMBL11474803 0.78 PARP10 (0.46) PARP10PARP4PARP1CA1CA2
SCHEMBL9685562 0.78 PARP10 (0.46) PARP10PARP4PARP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-6617347-B1 Substituted pyrazoles are treatment of Type II diabetes and obesity. ELI LILLY AND COMPANY 2003-09-09 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
US-6265581-B1 REACTING SPECIFIED EPOXIDE AND AMINE, REACTING PRODUCT WITH ACID TO FORM ACID ADDITION SALT ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
US-6093735-A TREATMENT OF TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-07-25 US disclosed
US-6060492-A SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
US-6046227-A USEFUL IN THE TREATMENT OF TYPE II DIABETES AND OBESITY; A SUBSTITUTED PYRAZINE COMPOUND ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5977154-A OBESITY, DIABETES ELI LILLY AND COMPANY (US) 1999-11-02 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 (1 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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 PARP10 3439/4885PARP4 2530/4885PARP1 4037/4885

“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.