SCHEMBL6315460

SCHEMBL6315460

CC(C)CC(C)NC(=O)CC#N

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.48
ACACB O00763 2/20 0.46
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
CTSL P07711 4/20 0.36
CTSS P25774 4/20 0.36
CTSK P43235 3/20 0.36
CTSB P07858 3/20 0.36
MLYCD O95822 1/20 0.36
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6317467 0.82 MCL1 (0.52) MCL1ACACBALDH1A1GAAKMT2A
SCHEMBL6322577 0.79 MCL1 (0.44) MCL1ACACBALDH1A1GAACTSK
SCHEMBL1896933 0.79
SCHEMBL6316632 0.77 MCL1 (0.45) MCL1ACACBALDH1A1GAAKMT2A
SCHEMBL8015155 0.77
SCHEMBL3906747 0.76 MCL1 (0.56) MCL1ACACBALDH1A1GAACTSK
SCHEMBL6317395 0.75 MCL1 (0.52) MCL1ACACBALDH1A1GAACTSS
SCHEMBL11523812 0.75 MCL1 (0.52) MCL1ACACBALDH1A1GAACTSS
SCHEMBL6316330 0.74 ALDH1A1 (0.46) MCL1ACACBALDH1A1GAAMLYCD
SCHEMBL24741521 0.74 CYP2C9 (0.46) ACACBALDH1A1MLYCDKMT2A

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
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 MCL1 584/4885ACACB 1255/4885ALDH1A1 4444/4885

“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.