SCHEMBL4762503

SCHEMBL4762503

CC(C)NC(=O)c1coc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3c3ccc(F)cc3)on2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.40
TRPV3 Q8NET8 2/20 0.38
HDAC6 Q9UBN7 3/20 0.37
HDAC4 P56524 3/20 0.37
TACR1 P25103 2/20 0.37
ENPP2 Q13822 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
RORC P51449 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
SCHEMBL4832476 0.87 USP30 (0.40) USP30TRPV3HDAC6HDAC4TACR1
SCHEMBL6004024 0.82 TACR1 (0.37) USP30TRPV3HDAC6HDAC4TACR1
SCHEMBL4827693 0.78 RORC (0.42) USP30HDAC6HDAC4TACR1ENPP2
SCHEMBL6004607 0.75 ENPP2 (0.38) USP30TRPV3HDAC6HDAC4TACR1
SCHEMBL4722305 0.74 HDAC4 (0.41) TRPV3HDAC6HDAC4GPR119
SCHEMBL6005113 0.73 TACR3 (0.39) USP30TACR1ENPP2GPR119HDAC1
SCHEMBL4762511 0.72 TACR1 (0.35) TACR1GPR119
SCHEMBL4814440 0.72 USP30 (0.42) USP30HDAC6HDAC4ENPP2GPR119
SCHEMBL6002680 0.70 USP30 (0.40) USP30TRPV3ENPP2
SCHEMBL18255827 0.69 MEN1 (0.49) TACR1GPR119HDAC1HDAC2RORC

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 1591/4885TRPV3 1893/4885HDAC6 1192/4885

“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.