SCHEMBL2983181

SCHEMBL2983181

COc1cccc2sc(NC(=O)CN3CCN(CC(O)COc4cccc5[nH]c6ccccc6c45)CC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.53
ADRB1 P08588 11/20 0.53
ADRB3 P13945 10/20 0.53
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
ADRA1A P35348 2/20 0.52
DRD3 P35462 2/20 0.52
HTR2B P41595 2/20 0.52
KCNH2 Q12809 2/20 0.52
SCN5A Q14524 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
LMNA P02545 2/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
DRD2 P14416 3/20 0.45

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
SCHEMBL2991037 0.93 ADRB2 (0.52) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL2998292 0.84 ADRB2 (0.55) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL2997321 0.83 ADRB2 (0.54) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL2989296 0.81 ADRB3 (0.65) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL4859633 0.79 CYP3A4 (0.64) ADRB2ADRB1ADRA2AADRA2BADRA2C
SCHEMBL2995969 0.76 ADRB2 (0.60) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL16550136 0.75 MAPT (0.71) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL2992698 0.74 ADRB3 (0.67) ADRB2ADRB1ADRB3DNM1
SCHEMBL4867116 0.74 CYP3A4 (0.71) ADRB2ADRB1ADRA2AADRA2BADRA2C
SCHEMBL6187337 0.74 CYP3A4 (0.70) ADRB2ADRB1ADRA2AADRA2BADRA2C

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-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US claimed
EP-1945612-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS Orchid Research Laboratories Limited (IN) 2008-07-23 EP claimed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US claimed
WO-2007042912-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO claimed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 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-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors IL6, IL6ST, STAT3 ADRB2 4160/4885ADRB1 3273/4885ADRB3 3238/4885

“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.