Sugi Predict

Sugi Predict / Compounds / SCHEMBL2224276

SCHEMBL2224276

SCHEMBL2224276

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.55
▸ GPBAR1 Q8TDU6 2/20 0.55
▸ AKR1B10 O60218 1/20 0.55
▸ AKR1B1 P15121 1/20 0.55
▸ EFNA1 P20827 1/20 0.55
▸ PSEN1 P49768 1/20 0.55
▸ PSEN2 P49810 1/20 0.55
▸ APH1B Q8WW43 1/20 0.55
▸ NCSTN Q92542 1/20 0.55
▸ APH1A Q96BI3 1/20 0.55
▸ PSENEN Q9NZ42 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ CDC25A P30304 3/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ INPP5D Q92835 1/20 0.46

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
SCHEMBL3676835 0.82 EPHA2 (0.60) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL29100493 0.79 GPBAR1 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL8332285 0.79 GPBAR1 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL22068151 0.79 GPBAR1 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL2224267 0.79 CYP2D6 (0.60) LMNACDC25ACYP2D6CYP2C19INPP5D
SCHEMBL30526180 0.79 GPBAR1 (0.58) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL133953 0.78 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL31747501 0.78 GPBAR1 (0.65) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL17912309 0.78 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL3447578 0.78 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011084721-A2 CATIONIC MOLECULE AND METHOD OF USE AGAVE PHARMA INC (US) 2011-07-14 — — WO disclosed
EP-0799059-B1 CATIONIC AMPHIPHILES AND PLASMIDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORP (US) 2002-07-31 — — EP disclosed
US-6383814-B1 AEROSOLIZED SOLUTION INCLUDES BIOLOGICALLY ACTIVE MOLECULE, CATIONIC AMPHIPHILE FOR TRANSPORT OF ACTIVE MOLECULE INTO CELL, AND POLYETHYLENE GLYCOL-PHOSPHATIDYLETHANOLAMINE; GENE THERAPY; ANTISENSE AGENTS GENZYME CORPORATION 2002-05-07 — — US disclosed
US-20020013282-A1 CATIONIC AMPHIPILE COMPOSITIONS FOR INTERACELLUAR DELIVERY OF THERAPEUTIC MOLECULES MARSHALL JOHN (US) 2002-01-31 — — US disclosed
US-6331524-B1 ADMINISTERING COMPLEX OF SPERMIDINE CHOLESTEROL CARBAMATE AND POLYNUCLEOTIDE ENCODING RETINOBLASTOMA PROTEIN AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS GENZYME CORPORATION 2001-12-18 — — US disclosed
EP-1007003-A1 CATIONIC AMPHIPHILE COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES Genzyme Corporation (US) 2000-06-14 — — EP disclosed
US-6071890-A COMPLEX OF A BIOLOGICALLY ACTIVE MOLECULE SELECTED FROM A PROTEIN, SMALL MOLECULE, NUCLEIC ACIDS WITH A CATIONIC AMPHIPHILE GENZYME CORPORATION (US) 2000-06-06 — — US disclosed
EP-0954338-A2 CATIONIC AMPHIPHILE/DNA COMPLEXES Genzyme Corporation (US) 1999-11-10 — — EP disclosed
EP-0954339-A2 CATIONIC AMPHIPHILE COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES Genzyme Corporation (US) 1999-11-10 — — EP disclosed
US-5948767-A TRANSPORT OF ACTIVE MATERIAL INTO CELLS; DRUG DELIVERY GENZYME CORPORATION (US) 1999-09-07 — — US disclosed
US-5783565-A FORM COMPLEXES WITH BIOLOGICALLY ACTIVE MOLECULES; GENE THERAPY GENZYME CORPORATION (US) 1998-07-21 — — US disclosed
US-5767099-A CONTAINING LIPOPHILIC GROUPS DERIVED FROM STEROIDS GENZYME CORPORATION (US) 1998-06-16 — — US disclosed
US-5747471-A DNA, RNA AND ANTISENSE POLYNUCLEOTIDES FOR GENE THERAPY GENZYME CORPORATION (US) 1998-05-05 — — US disclosed
WO-1998013026-A1 CATIONIC AMPHIPHILE COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORPORATION (US) 1998-04-02 — — WO disclosed
US-5719131-A GENE THERAPY GENZYME CORPORATION (US) 1998-02-17 — — US disclosed
WO-1998002190-A2 CATIONIC AMPHIPHILE/DNA COMPLEXES GENZYME CORPORATION (US) 1998-01-22 — — WO disclosed
WO-1998002191-A2 CATIONIC AMPHIPHILE COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORPORATION (US) 1998-01-22 — — WO disclosed
EP-0799059-A1 CATIONIC AMPHIPHILES AND PLASMIDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORPORATION (US) 1997-10-08 — — EP disclosed
US-5650096-A Cationic amphiphiles for intracellular delivery of therapeutic molecules GENZYME CORPORATION (US) 1997-07-22 — — US disclosed
WO-1996018372-A2 CATIONIC AMPHIPHILES AND PLASMIDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORPORATION (US) 1996-06-20 — — WO 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 (1 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-20020013282-A1 CATIONIC AMPHIPILE COMPOSITIONS FOR INTERACELLUAR DELIVERY OF THERAPEUTIC MOLECULES ANXA4, ABCB4, SLC43A1 EPHA2 317/4885GPBAR1 819/4885AKR1B10 678/4885

“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.