SCHEMBL4889025

SCHEMBL4889025

CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(F)cc2)C(c2nc(C(=O)O)cs2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.39
USP30 Q70CQ3 6/20 0.38
ENPP2 Q13822 1/20 0.38
GRIA1 P42261 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MMP13 P45452 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ACKR3 P25106 1/20 0.36

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
SCHEMBL6003951 0.91 NR1H2 (0.47) PIK3CDUSP30ENPP2GRIA1HDAC1
SCHEMBL4899267 0.90 USP30 (0.43) PIK3CDUSP30ACKR3
SCHEMBL6002680 0.73 USP30 (0.40) USP30ENPP2ACKR3
SCHEMBL6003649 0.73 ENPP2 (0.38) USP30ENPP2GRIA1NR1H2NR1H3
SCHEMBL18765278 0.72 GPR119 (0.45) USP30GPR119
SCHEMBL6004209 0.71 ACKR3 (0.40) USP30ENPP2ACKR3
SCHEMBL419123 0.70 GPR119 (0.51) GPR119
SCHEMBL4761315 0.70 NR1H2 (0.46) USP30ENPP2HDAC1HDAC2GPR119
SCHEMBL3436245 0.70 HPGDS (0.45) USP30GPR119ACKR3
SCHEMBL4790528 0.69 MAPK14 (0.50) GRIA1MMP13GPR119

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 PIK3CD 569/4885USP30 1591/4885ENPP2 266/4885

“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.