SCHEMBL1012386

SCHEMBL1012386

CCOC(=O)c1cnc(N2CC(NC(=O)OC(C)(C)C)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.48
BTK Q06187 2/20 0.43
JAK3 P52333 1/20 0.43
P2RY12 Q9H244 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
PDE10A Q9Y233 2/20 0.41
PIK3CD O00329 2/20 0.40
OGA O60502 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAP4K4 O95819 2/20 0.38
RET P07949 1/20 0.37
POLB P06746 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.37
SYK P43405 1/20 0.37
CTSK P43235 2/20 0.37

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
SCHEMBL31271217 0.90 BTK (0.54) ACACBBTKJAK3CKS1BSKP1
SCHEMBL756858 0.89 CKS1B (0.52) ACACBBTKJAK3P2RY12CKS1B
SCHEMBL27718571 0.84 CKS1B (0.45) BTKJAK3CKS1BSKP1SKP2
SCHEMBL21227806 0.84 JAK3 (0.45) ACACBBTKJAK3CKS1BSKP1
SCHEMBL3922100 0.83 P2RY12 (0.62) P2RY12
SCHEMBL1010636 0.83 ACACB (0.45) ACACBCKS1BSKP1SKP2OGA
SCHEMBL12723454 0.82 ACACB (0.53) ACACBP2RY12OGAMAPTNPSR1
SCHEMBL21227951 0.81 JAK3 (0.43) BTKJAK3CKS1BSKP1SKP2
SCHEMBL21227860 0.81 PDE10A (0.45) BTKJAK3CKS1BSKP1SKP2
SCHEMBL20474685 0.81 JAK3 (0.44) ACACBBTKJAK3CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
EP-1881977-A1 HISTONE DEACETYLASE INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-30 EP disclosed
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 ACACB 1153/4885BTK 3360/4885JAK3 3916/4885

“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.