SCHEMBL6004607

SCHEMBL6004607

CC(C)NC(=O)c1csc(-n2nccc2C2CCN(C(=O)OC(C)(C)C)CC2c2ccc(F)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
USP30 Q70CQ3 4/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
TACR1 P25103 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
SCHEMBL6004587 0.92 OGA (0.36) TACR1
SCHEMBL4871002 0.91 ENPP2 (0.39) ENPP2USP30LMNAMAPTPOLB
SCHEMBL6005068 0.87 ENPP2 (0.38) ENPP2USP30LMNAMAPTPOLB
SCHEMBL4832476 0.81 USP30 (0.40) ENPP2USP30TRPV3JAK2JAK1
SCHEMBL6002680 0.78 USP30 (0.40) ENPP2USP30TRPV3JAK2JAK1
SCHEMBL6004467 0.76 TP53 (0.43) ENPP2LMNAMAPTPOLBTP53
SCHEMBL4762503 0.75 USP30 (0.40) ENPP2USP30TRPV3HDAC4HDAC6
SCHEMBL4832492 0.72 TACR1 (0.35) ENPP2USP30JAK2TACR1
SCHEMBL6004024 0.72 TACR1 (0.37) USP30LMNATRPV3JAK2JAK1
SCHEMBL16827670 0.72 POLB (0.50) LMNAMAPTPOLBTP53THRB

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 ENPP2 266/4885USP30 1591/4885LMNA 4135/4885

“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.