SCHEMBL21498730

SCHEMBL21498730

CCCCCCC(CC)C(=O)NC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.56
CA1 P00915 4/20 0.56
MAPK1 P28482 1/20 0.47
GPR84 Q9NQS5 3/20 0.46
FFAR1 O14842 1/20 0.46
MMP3 P08254 5/20 0.43
MMP1 P03956 3/20 0.43
MMP9 P14780 1/20 0.43
MMP2 P08253 4/20 0.43
MMP7 P09237 1/20 0.43

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
SCHEMBL18935208 0.92 CA2 (0.66) CA2CA1MAPK1
SCHEMBL20987770 0.92 CA2 (0.50) CA2CA1GPR84FFAR1MMP3
SCHEMBL21250716 0.92 CA2 (0.50) CA2CA1GPR84FFAR1MMP3
SCHEMBL23082924 0.91 CA2 (0.53) CA2CA1GPR84FFAR1MMP3
SCHEMBL8240572 0.83 GPR84 (0.57) CA2GPR84FFAR1MMP3MMP1
SCHEMBL8233988 0.83 GPR84 (0.57) CA2GPR84FFAR1MMP3MMP1
SCHEMBL12058916 0.82 TSHR (0.52) CA2CA1MAPK1
SCHEMBL21452007 0.81 CA1 (0.50) CA2CA1GPR84FFAR1
SCHEMBL20915253 0.81 CA2 (0.85) CA2CA1MAPK1MMP3MMP1
SCHEMBL20936460 0.81 CA2 (0.85) CA2CA1MAPK1MMP3MMP1

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-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 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-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 CA2 4216/4885CA1 3532/4885MAPK1 104/4885

“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.