SCHEMBL968119

SCHEMBL968119

NNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALCA P06881 13/20 0.78
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
METAP2 P50579 1/20 0.35
NPC1 O15118 1/20 0.35
COMT P21964 1/20 0.35

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
SCHEMBL968122 0.90 CALCA (0.64) CALCATP53ALOX15METAP2NPC1
SCHEMBL4769028 0.87 CALCA (0.74) CALCATP53ALOX15METAP2COMT
SCHEMBL4067964 0.86 CALCA (0.69) CALCATP53ALOX15COMT
SCHEMBL1198641 0.85 CALCA (1.00) CALCA
SCHEMBL29393055 0.85 CALCA (1.00) CALCA
SCHEMBL4072599 0.85 CALCA (0.68) CALCATP53ALOX15METAP2COMT
SCHEMBL6046599 0.84 CALCA (1.00) CALCA
SCHEMBL7258795 0.84 CALCA (0.69) CALCACOMT
SCHEMBL7258658 0.83 CALCA (0.78) CALCA
SCHEMBL7257885 0.83 CALCA (0.81) CALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885TP53 1946/4885ALOX15 3928/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885TP53 1946/4885ALOX15 3928/4885

“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.