SCHEMBL4718408

SCHEMBL4718408

CCOC(=O)COc1cccnc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
F9 P00740 1/20 0.47
BRD4 O60885 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ABCB1 P08183 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PTPN1 P18031 1/20 0.45
S1PR4 O95977 1/20 0.45
MAPT P10636 1/20 0.45
ITGA4 P13612 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45
TLR9 Q9NR96 1/20 0.45
CASP3 P42574 1/20 0.43

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
SCHEMBL1514835 0.87 BRD4 (0.55) USP2BRD4KDM4EABCB1SMN1; SMN2
SCHEMBL29852549 0.87 ABCB1 (0.50) USP2BRD4KDM4EABCB1SMN1; SMN2
SCHEMBL29604747 0.87 BRD4 (0.55) USP2BRD4KDM4EABCB1SMN1; SMN2
SCHEMBL29941277 0.85 MKNK1 (0.48) BRD4KDM4EALDH1A1LMNAHPGD
SCHEMBL6305012 0.85 MKNK1 (0.48) BRD4KDM4EALDH1A1LMNAHPGD
SCHEMBL23331253 0.82 USP2 (0.54) USP2F9KDM4EABCB1SMN1; SMN2
SCHEMBL11546842 0.82 KMT2A (0.44) BRD4KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL14273084 0.80 POLB (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL6645602 0.80 CXCR1 (0.48) USP2KDM4EABCB1SMN1; SMN2ALDH1A1
SCHEMBL18301087 0.79 USP2 (0.51) USP2F9KDM4EABCB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448561-B1 BETA 3 ADRENERGIC AGONISTS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-7265127-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-7253181-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-08-07 US disclosed
US-7241772-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-07-10 US disclosed
US-7205407-B2 3-Substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-7071208-B2 β3 Adrenergic agonists ELI LILLY AND COMPANY (US) 2006-07-04 US disclosed
US-20060142328-A1 BETA 3 ADRENERGIC AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2006-06-29 US disclosed
US-20060142329-A1 BETA 3 ADRENERGIC AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2006-06-29 US disclosed
US-20060142327-A1 BETA 3 ADRENERGIC AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2006-06-29 US disclosed
EP-1448560-B1 3-SUBSTITUTED OXINDOLE beta 3 AGONISTS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20050020618-A1 Beta 3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2005-01-27 US disclosed
US-20050020617-A1 3-substituted oxindole beta3 agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2005-01-27 US disclosed
EP-1448560-A1 3-SUBSTITUTED OXINDOLE $g(b)3 AGONISTS ELI LILLY AND COMPANY (US) 2004-08-25 EP disclosed
EP-1448561-A1 BETA 3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2004-08-25 EP disclosed
WO-2003044017-A1 BETA 3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 WO disclosed
WO-2003044016-A1 3-SUBSTITUTED OXINDOLE β3 AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 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 (5 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-20060142329-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 USP2 4034/4885F9 3712/4885BRD4 1460/4885
US-20050020618-A1 Beta 3 adrenergic agonists ADRB3, ADRB1, ADRB2 USP2 4034/4885F9 3712/4885BRD4 1460/4885
US-20050020617-A1 3-substituted oxindole beta3 agonists ADRB3, ADRB2, ADRA2C USP2 4115/4885F9 4005/4885BRD4 1793/4885
US-20060142328-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 USP2 4034/4885F9 3712/4885BRD4 1460/4885
US-20060142327-A1 BETA 3 ADRENERGIC AGONISTS ADRB3, ADRB1, ADRB2 USP2 3927/4885F9 3616/4885BRD4 1701/4885

“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.