Sugi Predict

Sugi Predict / Compounds / SCHEMBL4881811

SCHEMBL4881811

SCHEMBL4881811

COC(=O)C1CN(S(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CC(=O)N1CC1CCN(c2ccc(=O)n(C)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ GAA P10253 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CASP3 P42574 1/20 0.32
▸ F10 P00742 3/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PRKAB2 O43741 2/20 0.31
▸ PRKAG1 P54619 2/20 0.31
▸ PRKAA2 P54646 2/20 0.31
▸ PRKAA1 Q13131 2/20 0.31

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
SCHEMBL4893162 1.00 ALDH1A1 (0.34) ALDH1A1GAAMAPTKDM4EHRH3
SCHEMBL4886638 0.93 KDM4E (0.39) ALDH1A1GAAKDM4ESMN1; SMN2KMT2A
SCHEMBL4891916 0.93 HRH3 (0.36) ALDH1A1GAAMAPTKDM4EHRH3
SCHEMBL4893924 0.93 CASP3 (0.34) ALDH1A1GAAMAPTKDM4EHRH3
SCHEMBL4893645 0.92 F2 (0.36) ALDH1A1GAAMAPTKDM4EHRH3
SCHEMBL4885059 0.92 F2 (0.36) ALDH1A1GAAMAPTKDM4EHRH3
SCHEMBL4883292 0.92 F2 (0.36) ALDH1A1GAAMAPTKDM4EHRH3
SCHEMBL4892814 0.91 HPGD (0.34) ALDH1A1GAAMAPTKDM4EHRH3
SCHEMBL4893430 0.91 F2 (0.34) ALDH1A1GAAMAPTKDM4EHRH3
SCHEMBL4894977 0.90 F10 (0.36) ALDH1A1GAAMAPTKDM4EHRH3

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-20080221063-A1 Heterocyclic Sulfonamide Derivatives As Inhibitors Of Factor Xa ASTRAZENECA AB (SE) 2008-09-11 — — 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-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-20080221063-A1 Heterocyclic Sulfonamide Derivatives As Inhibitors Of Factor Xa F12, F11, C1R ALDH1A1 2011/4885GAA 3281/4885MAPT 4880/4885
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 ALDH1A1 1019/4885GAA 4869/4885MAPT 4870/4885

“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.