Sugi Predict

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SCHEMBL4163673

SCHEMBL4163673

CC(=O)OCc1nc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.42
▸ CKS1B P61024 2/20 0.41
▸ SKP1 P63208 2/20 0.41
▸ SKP2 Q13309 2/20 0.41
▸ GBA1 P04062 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ SMARCA2 P51531 1/20 0.39
▸ SMARCA4 P51532 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OGFRL1 Q5TC84 1/20 0.38

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
SCHEMBL5387953 0.88 NCF1 (0.38) ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL4178891 0.88 CKS1B (0.43) ACHECKS1BSKP1SKP2GBA1
SCHEMBL4878710 0.84 ACHE (0.42) ACHECKS1BSKP1SKP2ALDH1A1
SCHEMBL4887206 0.82 BACE1 (0.51) ACHEGBA1MAPTBACE1TLR9
SCHEMBL4170014 0.79 GBA1 (0.46) ACHECKS1BSKP1SKP2GBA1
SCHEMBL25104472 0.76 SMARCA2 (0.47) CKS1BSKP1SKP2GBA1ALDH1A1
SCHEMBL4885947 0.75 HTR1A (0.38) ALDH1A1MAPT
SCHEMBL4172924 0.74 PARP1 (0.49) ACHECKS1BSKP1SKP2ALDH1A1
SCHEMBL5549018 0.73 NCF1 (0.39) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL20142785 0.72 CKS1B (0.46) ACHECKS1BSKP1SKP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 — — US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 — — US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 — — US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 — — US disclosed
EP-1853604-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-11-14 — — EP disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 — — EP disclosed
WO-2006096444-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-14 — — WO disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 — — 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 (2 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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 ACHE 4800/4885CKS1B 1259/4885SKP1 3512/4885
US-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 ACHE 1025/4885CKS1B 2993/4885SKP1 2084/4885

“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.