Sugi Predict

Sugi Predict / Compounds / SCHEMBL3618786

SCHEMBL3618786

SCHEMBL3618786

C[C@@H](Oc1cc(-n2cnc3ccc(CS(C)(=O)=O)cc32)sc1C(=O)O)c1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 17/20 0.64
▸ PLK3 Q9H4B4 15/20 0.64
▸ CDK2 P24941 1/20 0.60
▸ IKBKE Q14164 1/20 0.60
▸ PIK3CD O00329 2/20 0.55
▸ PDGFRB P09619 2/20 0.55
▸ PIM1 P11309 2/20 0.55
▸ NEK2 P51955 2/20 0.55
▸ NUAK1 O60285 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ CYP2C9 P11712 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ PIK3C2B O00750 1/20 0.51
▸ RIOK3 O14730 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ PIP5K1C O60331 1/20 0.51
▸ RPS6KA4 O75676 1/20 0.51
▸ STK10 O94804 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ KIT P10721 1/20 0.51

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
SCHEMBL13206398 0.93 PLK1 (0.74) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL2977906 0.93 PLK1 (0.74) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL5003049 0.93 PLK1 (0.65) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3254468 0.92 PLK1 (0.64) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL5003850 0.92 PLK1 (0.61) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL2984600 0.90 PLK1 (0.67) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL2982059 0.90 PLK1 (0.67) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3617472 0.90 PLK1 (0.51) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL5002791 0.90 PLK1 (0.59) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL2981852 0.89 PLK1 (0.65) PLK1PLK3CDK2IKBKEPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 — — US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 — — US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 — — US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 — — 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 (3 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-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885CDK2 186/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885CDK2 186/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885PLK3 1025/4885CDK2 197/4885

“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.