Sugi Predict

Sugi Predict / Compounds / SCHEMBL4890730

SCHEMBL4890730

SCHEMBL4890730

Cc1nc(N2CCC(C(=O)O)CC2)cnc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.50
▸ USP2 O75604 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CYP2C19 P33261 1/20 0.47
▸ NEK2 P51955 5/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ NOTUM Q6P988 4/20 0.41
▸ PLK1 P53350 1/20 0.40
▸ NEK1 Q96PY6 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CKS1B P61024 2/20 0.39
▸ SKP1 P63208 2/20 0.39

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
SCHEMBL5282584 0.95 LMNA (0.50) LMNAHTTKDM4EUSP2HPGD
SCHEMBL31381338 0.79 LMNA (0.59) LMNAHTTKDM4EUSP2HPGD
SCHEMBL30890339 0.75 LMNA (0.58) LMNAHTTKDM4EUSP2HPGD
SCHEMBL22875307 0.75 KDM4E (0.57) LMNAHTTKDM4EUSP2HPGD
SCHEMBL31381164 0.72 LMNA (0.62) LMNAHTTKDM4ECYP2C19NOTUM
SCHEMBL239335 0.72 LMNA (0.55) LMNAHTTKDM4EUSP2HPGD
SCHEMBL31381165 0.72 LMNA (0.62) LMNAHTTKDM4ECYP2C19NOTUM
SCHEMBL31381257 0.72 LMNA (0.55) LMNAHTTKDM4EUSP2HPGD
SCHEMBL327169 0.72 LMNA (0.62) LMNAHTTKDM4ECYP2C19NOTUM
SCHEMBL4892066 0.72 KDM4E (0.50) LMNAHTTKDM4EUSP2HPGD

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-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa ASTRAZENECA AB (SE) 2008-09-04 — — US disclosed
US-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy ASTRAZENECA AB (SE) 2008-08-21 — — US disclosed
WO-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 — — WO disclosed
WO-2007008146-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 — — 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 (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-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy CYC1, F2, CBR1 LMNA 1352/4885HTT 799/4885KDM4E 2013/4885
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 LMNA 1250/4885HTT 1248/4885KDM4E 2392/4885

“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.