SCHEMBL4899267

SCHEMBL4899267

CC(C)(C)OC(=O)N1CCC(n2ccnc2-c2ccc(F)cc2)C(c2nc(C(=O)NC3CCCC3)cs2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.43
ACKR3 P25106 1/20 0.41
HDAC4 P56524 3/20 0.40
HDAC6 Q9UBN7 2/20 0.40
LMNA P02545 1/20 0.38
PIK3CD O00329 1/20 0.38
ANO1 Q5XXA6 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4889025 0.90 PIK3CD (0.39) USP30ACKR3PIK3CD
SCHEMBL6003951 0.88 NR1H2 (0.47) USP30LMNAPIK3CD
SCHEMBL6002680 0.75 USP30 (0.40) USP30ACKR3
SCHEMBL13422175 0.74 EPHX1 (0.55) ACKR3HDAC4LMNAPIK3CD
SCHEMBL6004133 0.73 MAPK14 (0.46) USP30ACKR3HDAC4HDAC6
SCHEMBL4899277 0.73 CD38 (0.35) USP30ACKR3NPC1RAB9ATDP1
SCHEMBL6004209 0.71 ACKR3 (0.40) USP30ACKR3
SCHEMBL6003649 0.70 ENPP2 (0.38) USP30ACKR3
SCHEMBL4899273 0.70 ACKR3 (0.40) USP30ACKR3HDAC4HDAC6NPC1
SCHEMBL4888351 0.70 HDAC4 (0.52) HDAC4HDAC6

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 USP30 1591/4885ACKR3 262/4885HDAC4 862/4885

“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.