SCHEMBL6767265

SCHEMBL6767265

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.34
CTSS P25774 4/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL526638 0.76 NOS1 (0.40) CTSKCTSSCA12CA14
SCHEMBL6772156 0.75 TP53 (0.32)
SCHEMBL16939151 0.72 DPP4 (0.32) CTSKCTSS
SCHEMBL7773527 0.71 CTSK (0.41) CTSKCTSSCTSLCTSBCA12
SCHEMBL9755814 0.70 DGAT1 (0.44) CTSKCTSSCTSLCTSB
SCHEMBL1141948 0.70 CA12 (0.35) CA12CA14
SCHEMBL1721887 0.70 KMT2A (0.37) CTSKCTSSCTSLCTSBCA12
SCHEMBL3799840 0.70 KMT2A (0.37) CTSKCTSSCTSLCTSBCA12
SCHEMBL1088194 0.70 KMT2A (0.37) CTSKCTSSCTSLCTSBCA12
SCHEMBL25941181 0.69 NOS1 (0.34) CA12CA14

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-6730803-B2 PRODUCTION METHOD OF A BETA -KETO ESTER COMPOUND OF CLAIM 1, WHICH COMPRISES CONDENSATION OF A 2-CYANO-2,2-DIMETHYLACETATE SOLUTION TO GIVE 2-CYANO-2,2- DIMETHYLACETATE OF THE FORMULA (II), AND CONDENSATION THEREOF SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-05-04 US disclosed
US-20030144533-A1 Synthetic intermediate for epothilone derivative and production method thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-07-31 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-20030144533-A1 Synthetic intermediate for epothilone derivative and production method thereof HSD11B1, HSD17B7, HSD17B1 CTSK 4265/4885CTSS 4706/4885CTSL 4511/4885

“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.