Sugi Predict

Sugi Predict / Compounds / SCHEMBL967433

SCHEMBL967433

SCHEMBL967433

COc1cccc(Cc2nnc(-c3nc(N4CCCCS4(O)O)c4cccnc4c3O)[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 6/20 0.40
▸ FGFR1 P11362 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALPL P05186 3/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ LTA4H P09960 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
SCHEMBL967431 0.92 CALCA (0.49) CALCAFGFR1FGFR4MAPTTP53
SCHEMBL968247 0.88 CALCA (0.52) CALCATP53LMNAHCAR2SMN1; SMN2
SCHEMBL965779 0.88 CALCA (0.48) CALCAMAPTTP53LMNASMN1; SMN2
SCHEMBL966987 0.86 CALCA (0.50) CALCAFGFR1TP53LMNASMN1; SMN2
SCHEMBL967390 0.86 CALCA (0.42) CALCATP53LMNASMN1; SMN2KDM4E
SCHEMBL966049 0.85 CALCA (0.43) CALCATP53LMNASMN1; SMN2KDM4E
SCHEMBL965627 0.85 CALCA (0.51) CALCAMAPTTP53LMNASMN1; SMN2
SCHEMBL968042 0.84 CALCA (0.50) CALCAMAPTLMNASMN1; SMN2KDM4E
SCHEMBL967706 0.84 CALCA (0.41) CALCAMAPTTP53LMNASMN1; SMN2
SCHEMBL966272 0.82 CALCA (0.47) CALCAMAPTTP53LMNASMN1; SMN2

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 7 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-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 4461/4885FGFR1 2774/4885FGFR4 3250/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885FGFR1 2774/4885FGFR4 3250/4885

“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.