Sugi Predict

Sugi Predict / Compounds / SCHEMBL970529

SCHEMBL970529

SCHEMBL970529

O=C(c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.39
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ APP P05067 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MLNR O43193 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CALCRL Q16602 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL967529 0.90 MAPT (0.44) CALCAPTGS1PTGS2APPRAB9A
SCHEMBL966889 0.89 CALCA (0.41) CALCAPTGS1PTGS2APPRAB9A
SCHEMBL967446 0.85 APLNR (0.38) CALCAAPPRAB9ATP53HPGD
SCHEMBL966267 0.83 TP53 (0.42) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL968666 0.82 RPS6KB1 (0.41) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL968296 0.81 CALCA (0.41) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL965385 0.80 CALCA (0.39) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL969591 0.80 CALCA (0.42) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL966194 0.78 CALCA (0.42) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL3964597 0.78 EGLN1 (0.46) CALCATP53L3MBTL1MAPT

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 4461/4885PTGS1 3945/4885PTGS2 4237/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885PTGS1 3945/4885PTGS2 4237/4885

“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.