Sugi Predict

Sugi Predict / Compounds / SCHEMBL3063341

SCHEMBL3063341

SCHEMBL3063341

CCCCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCCC)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OC(=O)CCCCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LY96 Q9Y6Y9 3/20 0.53
▸ TLR4 O00206 2/20 0.53
▸ NAAA Q02083 2/20 0.47
▸ SMPD1 P17405 1/20 0.47
▸ ENPP2 Q13822 6/20 0.44
▸ LPAR3 Q9UBY5 4/20 0.44
▸ LPAR1 Q92633 3/20 0.44
▸ LPAR6 P43657 1/20 0.44
▸ LPAR4 Q99677 1/20 0.44
▸ LPAR5 Q9H1C0 1/20 0.44
▸ LPAR2 Q9HBW0 1/20 0.44
▸ DGKA P23743 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3075893 1.00 LY96 (0.53) LY96TLR4NAAASMPD1ENPP2
SCHEMBL3075469 0.98 LY96 (0.55) LY96TLR4NAAASMPD1ENPP2
SCHEMBL3082731 0.98 LY96 (0.55) LY96TLR4NAAASMPD1ENPP2
SCHEMBL3075504 0.95 LY96 (0.48) LY96TLR4NAAASMPD1ENPP2
SCHEMBL3076907 0.95 LY96 (0.48) LY96TLR4NAAASMPD1ENPP2
SCHEMBL9004344 0.92 SMPD1 (0.53) LY96TLR4NAAASMPD1
SCHEMBL9000966 0.91 SMPD1 (0.55) LY96TLR4NAAASMPD1ENPP2
SCHEMBL4285698 0.91 ITPR3 (0.52) LY96TLR4NAAASMPD1
SCHEMBL8845346 0.87 ITPR3 (0.43) LY96TLR4SMPD1
SCHEMBL5667749 0.87 ITPR3 (0.43) LY96TLR4SMPD1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 — — US claimed
EP-0730460-B1 THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE TREATMENT OF INFLAMMATORY CONDITIONS PERSTORP AB (SE) 2002-06-12 — — EP claimed
US-5866557-A REDUCE TISSUE DAMAGE PERSTORP AB (SE) 1999-02-02 — — US claimed
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT SIRÈN MATTI (FI) 2016-03-17 — — US disclosed
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 — — US disclosed
US-20090175924-A1 COATED STENT BIONERIS AB (SE) 2009-07-09 — — US disclosed
EP-1390045-B1 THE USE OF A COMPOUND WITH A NEGATIVELY CHARGED DOMAIN OF PHOSPHOROUS-CONTAINING RADICALS FOR THE TREATMENT OF RESTENOSIS BIONERIS AB (SE) 2008-12-03 — — EP disclosed
US-20050261756-A1 Coated stent BIONERIS AB (SE) 2005-11-24 — — US disclosed
US-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS PERSTORP AB (SE) 2005-10-13 — — US disclosed
US-6949517-B1 Method of treating inflammatory, tissue repair and infectious conditions SIREN MATTI 2005-09-27 — — US disclosed
EP-1545643-A1 COATED STENT Bioneris AB, (SE) 2005-06-29 — — EP disclosed
EP-0730460-B1 THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE TREATMENT OF INFLAMMATORY CONDITIONS PERSTORP AB (SE) 2002-06-12 — — EP disclosed
US-20020065253-A1 Use of growth factor modulating compounds SIREN MATTI (FI) 2002-05-30 — — US disclosed
EP-0910383-A1 THE USE OF GROWTH FACTOR MODULATING COMPOUNDS PERSTORP AB (SE) 1999-04-28 — — EP disclosed
US-5866557-A REDUCE TISSUE DAMAGE PERSTORP AB (SE) 1999-02-02 — — US disclosed
US-5846957-A Use of an ester of inositoltrisphosphate for the preparing of medicaments PERSTORP AB (SE) 1998-12-08 — — US disclosed
WO-1997049408-A1 THE USE OF GROWTH FACTOR MODULATING COMPOUNDS PERSTORP AB (SE) 1997-12-31 — — WO disclosed
EP-0730459-A1 THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1996-09-11 — — EP disclosed
WO-1995014475-A1 THE USE OF AN ESTER OF INOSITOLTRISPHOSPHATE FOR THE PREPARING OF MEDICAMENTS PERSTORP AB (SE) 1995-06-01 — — WO disclosed
US-5274161-A Derivatives of cyclohexane PERSTORP AB (SE) 1993-12-28 — — 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 (5 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-20100261682-A1 Method and Means for the Treatment of Cachexia PYGM, GYS1, CPT1B LY96 3278/4885TLR4 2430/4885NAAA 2602/4885
US-20020065253-A1 Use of growth factor modulating compounds HDGF, PGF, FGF2 LY96 1810/4885TLR4 287/4885NAAA 4741/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB LY96 865/4885TLR4 741/4885NAAA 3151/4885
US-20090175924-A1 COATED STENT PHOSPHO1, SOST, PLCB3 LY96 2565/4885TLR4 199/4885NAAA 3750/4885
US-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS TNF, TLR2, TPMT LY96 1159/4885TLR4 11/4885NAAA 4163/4885

“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.