Sugi Predict

Sugi Predict / Compounds / SCHEMBL966056

SCHEMBL966056

SCHEMBL966056

CC(C)NS(=O)(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ COMT P21964 2/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ PTBP1 P26599 1/20 0.35
▸ HTR2A P28223 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
SCHEMBL967882 0.88 PTGS2 (0.44) NPC1RAB9ACOMTPTGS2
SCHEMBL967424 0.87 TP53 (0.38) RAB9ACOMTMAPTTHRBTP53
SCHEMBL965998 0.86 NPC1 (0.40) NPC1RAB9ACOMTTP53MEN1
SCHEMBL968076 0.85 APLNR (0.41) NPC1RAB9AMAPTTHRBTP53
SCHEMBL971487 0.85 HDAC6 (0.41) NPC1RAB9ATP53MEN1HPGD
SCHEMBL969654 0.83 COMT (0.37) NPC1RAB9AMMP2MMP9COMT
SCHEMBL969732 0.83 RAB9A (0.44) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL967833 0.83 HDAC6 (0.43) NPC1RAB9AMAPTTHRBTP53
SCHEMBL967551 0.82 NPC1 (0.57) NPC1RAB9ATP53HPGDKMT2A
SCHEMBL969487 0.82 MEN1 (0.40) NPC1RAB9AMAPTTP53MEN1

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 9 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

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 NPC1 220/4885RAB9A 2668/4885MMP2 2484/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR NPC1 220/4885RAB9A 2668/4885MMP2 2484/4885

“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.