Sugi Predict

Sugi Predict / Compounds / SCHEMBL13944167

SCHEMBL13944167

SCHEMBL13944167

O=C(Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2)N1CCN(CCP(=O)(O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.39
▸ NPSR1 Q6W5P4 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MPI P34949 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ APP P05067 2/20 0.39
▸ LMNA P02545 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CTSB P07858 1/20 0.36
▸ CALCA P06881 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CNR2 P34972 4/20 0.34
▸ TP53 P04637 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
SCHEMBL13944171 0.92 MAPT (0.40) HTTNPSR1MAPTKMT2AMPI
SCHEMBL5227763 0.90 APP (0.37) HTTNPSR1MAPTKMT2AMPI
SCHEMBL13944234 0.89 KMT2A (0.37) HTTNPSR1MAPTKMT2AMPI
SCHEMBL4151011 0.89 KMT2A (0.37) HTTNPSR1MAPTKMT2AMPI
SCHEMBL13943964 0.89 MAPT (0.41) HTTNPSR1MAPTKMT2AMPI
SCHEMBL14424404 0.88 KMT2A (0.41) HTTNPSR1MAPTKMT2AMPI
SCHEMBL4151302 0.87 APP (0.40) HTTNPSR1MAPTKMT2AMPI
SCHEMBL13944029 0.87 NPSR1 (0.41) HTTNPSR1MAPTKMT2AMPI
SCHEMBL13944158 0.86 KMT2A (0.43) HTTNPSR1MAPTKMT2AMPI
SCHEMBL13944043 0.86 NPSR1 (0.40) HTTNPSR1MAPTKMT2AMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 — — US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 — — 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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 HTT 4163/4885NPSR1 1404/4885MAPT 4602/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE HTT 4059/4885NPSR1 4629/4885MAPT 2025/4885

“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.