SCHEMBL14446830

SCHEMBL14446830

COC(=O)c1nc(N2CCCS2(=O)=O)c2cccnc2c1OS

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALCA P06881 7/20 0.53
KDM4E B2RXH2 3/20 0.38
PIK3C3 Q8NEB9 2/20 0.35
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4067727 0.87 CALCA (0.65) CALCAKDM4EPIK3C3L3MBTL1TP53
SCHEMBL4067964 0.84 CALCA (0.69) CALCAKDM4EPIK3C3L3MBTL1TP53
SCHEMBL4072599 0.83 CALCA (0.68) CALCAKDM4EPIK3C3L3MBTL1TP53
SCHEMBL967973 0.81 CALCA (0.51) CALCAKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL7262571 0.77 CALCA (0.53) CALCAKDM4EL3MBTL1TP53HTT
SCHEMBL7258795 0.76 CALCA (0.69) CALCAKDM4EALDH1A1L3MBTL1
SCHEMBL4066023 0.76 CALCA (0.54) CALCAKDM4EL3MBTL1SMN1; SMN2
SCHEMBL4762076 0.74 CALCA (0.52) CALCAKDM4EPIK3C3L3MBTL1TP53
SCHEMBL4067974 0.74 CALCA (0.56) CALCAKDM4EL3MBTL1TP53HTT
SCHEMBL4769028 0.73 CALCA (0.74) CALCAKDM4EL3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 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 (1 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-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds CDKL5, CDKL1, CDKL3 CALCA 4813/4885KDM4E 303/4885PIK3C3 1112/4885

“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.