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SCHEMBL969656

SCHEMBL969656

CS(=O)(=O)N1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ DCTPP1 Q9H773 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ COMT P21964 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ HSD11B1 P28845 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
SCHEMBL966316 0.89 GBA1 (0.45) MAPTALDH1A1LMNAHSD11B1
SCHEMBL969901 0.88 CALCA (0.37) CALCAMAPTDCTPP1L3MBTL1TP53
SCHEMBL968016 0.84 CALCA (0.39) CALCAMAPTALDH1A1LMNATP53
SCHEMBL967824 0.83 GRIA1 (0.42) CALCAMAPTL3MBTL1LMNATP53
SCHEMBL968365 0.82 TP53 (0.47) CALCAALDH1A1LMNATP53SMN1; SMN2
SCHEMBL968379 0.82 CALCA (0.41) CALCAMAPTL3MBTL1LMNATP53
SCHEMBL967562 0.82 CALCA (0.40) CALCAMAPTL3MBTL1LMNATP53
SCHEMBL965304 0.81 CALCA (0.41) CALCAMAPTL3MBTL1ALDH1A1LMNA
SCHEMBL966648 0.81 CALCA (0.46) CALCAMAPTL3MBTL1LMNATP53
SCHEMBL967599 0.81 L3MBTL1 (0.41) CALCAMAPTL3MBTL1ALDH1A1LMNA

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 8 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-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 4461/4885MAPT 1418/4885DCTPP1 250/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885MAPT 1418/4885DCTPP1 250/4885

“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.