SCHEMBL10166041

SCHEMBL10166041

CC(C)NC(C(=O)C(C)C)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
MMP2 P08253 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
ROCK2 O75116 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL24311892 0.94 MMP2 (0.34) MMP2CA12CA1CA2CA9
SCHEMBL14511428 0.94 MMP2 (0.38) MMP2CA12CA1CA2CA9
SCHEMBL19400738 0.94 MMP2 (0.38) MMP2CA12CA1CA2CA9
SCHEMBL13792257 0.92 MMP2 (0.41) MMP2CA12CA1CA2CA9
SCHEMBL14511415 0.92 MMP2 (0.41) MMP2CA12CA1CA2CA9
SCHEMBL24153004 0.87 PIK3CD (0.37) MMP2MMP1MMP3MMP9MMP14
SCHEMBL24312151 0.87 PIK3CD (0.37) MMP2MMP1MMP3MMP9MMP14
SCHEMBL10207365 0.80 ALOX5 (0.33) ALOX5MMP2CA12CA1CA2
SCHEMBL24667724 0.78 ALOX5 (0.32) ALOX5MMP2CA12CA1CA2
SCHEMBL21843796 0.78 ALOX5 (0.41) ALOX5MMP2CA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029359-B2 Heteroaryl Btk inhibitors BIOGEN IDEC MA, INC. (US) 2015-05-12 US disclosed
US-20120157442-A1 HETEROARYL BTK INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 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-20120157442-A1 HETEROARYL BTK INHIBITORS BTK, LYN, SYK ALOX5 3259/4885MMP2 4341/4885CA12 4862/4885

“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.