SCHEMBL3108968

SCHEMBL3108968

CC(C)Oc1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.53
CKS1B P61024 2/20 0.52
SKP1 P63208 2/20 0.52
SKP2 Q13309 2/20 0.52
HRH3 Q9Y5N1 2/20 0.48
GPR119 Q8TDV5 5/20 0.48
PTGDR Q13258 1/20 0.45
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KIF18A Q8NI77 1/20 0.43
ACHE P22303 1/20 0.43
KIT P10721 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
SUV39H2 Q9H5I1 1/20 0.42
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42

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
SCHEMBL4531400 0.86 HRH3 (0.56) MAP4K4CKS1BSKP1SKP2HRH3
SCHEMBL461584 0.86 CKS1B (0.62) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL23839560 0.85 MAP4K4 (0.55) MAP4K4CKS1BSKP1SKP2HRH3
SCHEMBL31651832 0.83 MAP4K4 (0.53) MAP4K4CKS1BSKP1SKP2HRH3
SCHEMBL461585 0.81 CKS1B (0.60) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL29664252 0.81 CKS1B (0.57) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL4949224 0.81 CKS1B (0.57) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL4524210 0.81 CKS1B (0.57) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL30457275 0.81 MAP4K4 (0.53) MAP4K4CKS1BSKP1SKP2HRH3
SCHEMBL25242141 0.81 MAP4K4 (0.53) MAP4K4CKS1BSKP1SKP2HRH3

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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
EP-2167490-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2008153325-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 MAP4K4 2647/4885CKS1B 3105/4885SKP1 658/4885

“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.