Sugi Predict

Sugi Predict / Compounds / SCHEMBL966281

SCHEMBL966281

SCHEMBL966281

O=S1(=O)CCCCN1c1nc(-c2nnc(CCc3ccccc3)[nH]2)c(O)c2ncccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 7/20 0.59
▸ KDM4E B2RXH2 4/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ MITF O75030 2/20 0.35
▸ DAO P14920 1/20 0.34
▸ ALOX15 P16050 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALOX12 P18054 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ APP P05067 1/20 0.33

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
SCHEMBL5566966 0.94 CALCA (0.52) CALCAKDM4EL3MBTL1ALOX15MAPT
SCHEMBL965773 0.92 CALCA (0.60) CALCAKDM4EL3MBTL1MITFALOX15
SCHEMBL966272 0.91 CALCA (0.47) CALCAKDM4EMMP2MMP9MMP13
SCHEMBL966989 0.87 CALCA (0.62) CALCAKDM4EL3MBTL1MITFDAO
SCHEMBL967391 0.86 CALCA (0.53) CALCAKDM4EL3MBTL1ALOX15MAPT
SCHEMBL967790 0.86 CALCA (0.53) CALCAKDM4EL3MBTL1ALOX15MAPT
SCHEMBL968717 0.85 CALCA (0.51) CALCAKDM4EL3MBTL1ALOX15MAPT
SCHEMBL968040 0.85 CALCA (0.62) CALCAKDM4EL3MBTL1CDK1CDK4
SCHEMBL967705 0.85 CALCA (0.51) CALCAKDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL968246 0.85 CALCA (0.63) CALCAKDM4EL3MBTL1MITFCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 — — US claimed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 — — US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 — — US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 — — US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 — — US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 — — US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 — — US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 — — US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 — — US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 — — 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 (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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885KDM4E 2029/4885MMP2 2484/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885KDM4E 2029/4885MMP2 2484/4885

“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.