SCHEMBL13201018

SCHEMBL13201018

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C(=O)O)c1C(=O)SC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
CKS1B P61024 2/20 0.36
SKP1 P63208 2/20 0.36
SKP2 Q13309 2/20 0.36
ACHE P22303 1/20 0.35
PTPN11 Q06124 1/20 0.34
GPR119 Q8TDV5 4/20 0.33
MAP4K4 O95819 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GBA1 P04062 2/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL13217469 0.87 KCNH2 (0.46) KCNH2CKS1BSKP1SKP2ACHE
SCHEMBL2965598 0.86 KCNH2 (0.40) KCNH2CKS1BSKP1SKP2ACHE
SCHEMBL2965716 0.86 KCNH2 (0.40) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL2958599 0.86 KCNH2 (0.39) KCNH2CKS1BSKP1SKP2ACHE
SCHEMBL2957124 0.82 KCNH2 (0.47) KCNH2CKS1BSKP1SKP2ACHE
SCHEMBL2959239 0.81 ATM (0.40) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL2956517 0.79 KCNH2 (0.41) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL2957142 0.78 KCNH2 (0.39) KCNH2CKS1BSKP1SKP2ACHE
SCHEMBL2956304 0.77 KCNH2 (0.40) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL13200917 0.77 KDM4E (0.42) KCNH2CKS1BSKP1SKP2ACHE

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-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KCNH2 106/4885CKS1B 103/4885SKP1 1478/4885

“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.