SCHEMBL6005113

SCHEMBL6005113

CCCC[Sn](CCCC)(CCCC)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2c2ccc(F)cc2)on1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.39
TACR1 P25103 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
RORC P51449 1/20 0.38
ENPP2 Q13822 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
DPP4 P27487 1/20 0.37
USP30 Q70CQ3 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4D Q08499 1/20 0.36
SCN9A Q15858 1/20 0.36
USP7 Q93009 1/20 0.35
PDE4B Q07343 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL4827693 0.82 RORC (0.42) TACR3TACR1GPR119RORCENPP2
SCHEMBL12844305 0.73 HDAC1 (0.47) TACR3TACR1GPR119RORCHDAC1
SCHEMBL4832476 0.73 USP30 (0.40) TACR1GPR119RORCENPP2HDAC1
SCHEMBL18255827 0.72 MEN1 (0.49) TACR1GPR119RORCHDAC1HDAC2
SCHEMBL14610186 0.71 ENPP2 (0.51) TACR1GPR119RORCENPP2HDAC1
SCHEMBL14934468 0.71 ENPP2 (0.51) TACR1GPR119RORCENPP2HDAC1
SCHEMBL16109014 0.71 ENPP2 (0.51) TACR1GPR119RORCENPP2HDAC1
SCHEMBL15141289 0.71 ENPP2 (0.51) TACR1GPR119RORCENPP2HDAC1
SCHEMBL12776251 0.71 RORC (0.49) TACR3TACR1GPR119RORCHDAC1
SCHEMBL4483553 0.71 RORC (0.49) TACR3TACR1GPR119RORCENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 TACR3 3935/4885TACR1 3601/4885GPR119 1185/4885

“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.