SCHEMBL4827693

SCHEMBL4827693

CC(C)(C)OC(=O)N1CCC(c2cc(I)no2)C(c2ccc(F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
USP30 Q70CQ3 2/20 0.41
TACR1 P25103 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TACR3 P29371 1/20 0.40
PDE4B Q07343 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC4 P56524 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
ENPP2 Q13822 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL6005113 0.82 TACR3 (0.39) RORCHDAC1HDAC2USP30TACR1
SCHEMBL4832476 0.78 USP30 (0.40) RORCHDAC1HDAC2USP30TACR1
SCHEMBL6004024 0.78 TACR1 (0.37) RORCHDAC1HDAC2USP30TACR1
SCHEMBL18255827 0.78 MEN1 (0.49) RORCHDAC1HDAC2TACR1MEN1
SCHEMBL12776251 0.77 RORC (0.49) RORCHDAC1HDAC2USP30TACR1
SCHEMBL4483553 0.77 RORC (0.49) RORCHDAC1HDAC2TACR1MEN1
SCHEMBL4944424 0.77 RORC (0.49) RORCHDAC1HDAC2TACR1MEN1
SCHEMBL4483563 0.77 RORC (0.49) RORCHDAC1HDAC2TACR1MEN1
SCHEMBL27688526 0.77 RORC (0.49) RORCHDAC1HDAC2TACR1MEN1
SCHEMBL4483556 0.77 RORC (0.49) RORCHDAC1HDAC2TACR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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 (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 RORC 650/4885HDAC1 646/4885HDAC2 1225/4885

“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.