SCHEMBL965987

SCHEMBL965987

O=S1(=O)CCCCN1c1nc(-c2nnc(Cc3cccs3)[nH]2)c(O)c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCA P06881 7/20 0.49
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
PBK Q96KB5 3/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL965986 0.91 CALCA (0.39) CALCAKDM4ESMN1; SMN2
SCHEMBL967391 0.88 CALCA (0.53) CALCAKDM4ESMN1; SMN2LMNA
SCHEMBL965773 0.87 CALCA (0.60) CALCAKDM4ESMN1; SMN2LMNA
SCHEMBL967790 0.86 CALCA (0.53) CALCAKDM4ESMN1; SMN2LMNA
SCHEMBL966989 0.85 CALCA (0.62) CALCAKDM4E
SCHEMBL967705 0.85 CALCA (0.51) CALCAKDM4ESMN1; SMN2LMNA
SCHEMBL968040 0.85 CALCA (0.62) CALCAKDM4E
SCHEMBL965626 0.84 CALCA (0.62) CALCAKDM4ESMN1; SMN2LMNA
SCHEMBL5566966 0.84 CALCA (0.52) CALCAKDM4ESMN1; SMN2LMNA
SCHEMBL968717 0.83 CALCA (0.51) CALCAKDM4ESMN1; SMN2LMNA

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 2029/4885SMN1; SMN2 4318/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885KDM4E 2029/4885SMN1; SMN2 4318/4885

“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.