SCHEMBL2944077

SCHEMBL2944077

CCCCN(C(=O)c1ccccn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.60
NR1H3 Q13133 5/20 0.60
MLYCD O95822 14/20 0.60
RORC P51449 1/20 0.47

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
SCHEMBL2945331 0.81 MLYCD (0.78) NR1H2NR1H3MLYCDRORC
SCHEMBL2945327 0.76 MLYCD (0.75) NR1H2NR1H3MLYCD
SCHEMBL2942014 0.76 MLYCD (0.70) NR1H2NR1H3MLYCD
SCHEMBL4720669 0.75 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL6843869 0.75 MLYCD (1.00) MLYCD
SCHEMBL2942439 0.74 MLYCD (1.00) NR1H2NR1H3MLYCD
SCHEMBL25687491 0.74 MLYCD (0.56) NR1H2NR1H3MLYCDRORC
Hydrochloric Acid SCHEMBL4420053 0.73 MLYCD (0.63) NR1H2NR1H3MLYCD
SCHEMBL2944310 0.73 MLYCD (0.79) NR1H2NR1H3MLYCDRORC
SCHEMBL25687502 0.73 MLYCD (0.56) MLYCDRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4503232-B2 2010-07-14 JP claimed
JP-4503896-B2 2010-07-14 JP claimed
JP-2004521113-A 2004-07-15 JP claimed
US-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-06 US claimed
EP-1353662-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-10-22 EP claimed
JP-2003502309-A 2003-01-21 JP claimed
WO-2002058690-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 WO claimed
EP-1194404-A1 INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2002-04-10 EP claimed
WO-2000076961-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-21 WO claimed
CN-109562048-A For promoting the composition and method of skin health 加州大学评议会 2019-04-02 CN disclosed
CN-107406378-A Sulfurized alkyl compounds and pyridine trans sulfonamide compounds for HBV treatment 诺维拉治疗公司 2017-11-28 CN disclosed
CN-102186497-B Purine nucleoside phosphorylase as enzymatic activator of nucleoside prodrugs UAB RESEARCH FOUNDATION 2015-02-25 CN disclosed
CN-102186497-A Purine nucleoside phosphorylase as enzymatic activator of nucleoside prodrugs UAB RESEARCH FOUNDATION 2011-09-14 CN disclosed
EP-1786815-A4 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2009-03-18 EP disclosed
WO-1995015395-A2 NUCLEOSIDE ANALOGUE METHOD AMERSHAM INTERNATIONAL PLC (GB) 1995-06-08 WO disclosed
EP-0594677-A1 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B NeXstar Pharmaceuticals, Inc. (US) 1994-05-04 EP disclosed
WO-1993000910-A1 ANTIVIRAL LIPONUCLEOSIDES: TREATMENT OF HEPATITIS B VICAL, INC. (US) 1993-01-21 WO disclosed
EP-0394346-A4 PYRIMIDINE AND PURINE 1,2-BUTADIENE-4-OLS AS ANTI-RETROVIRAL AGENTS US HEALTH (US) 1991-12-11 EP disclosed
EP-0394346-A1 PYRIMIDINE AND PURINE 1,2-BUTADIENE-4-OLS AS ANTI-RETROVIRAL AGENTS THE UNITED STATES OF AMERICA as represented by the Secretary United States Department of Commerce (US) 1990-10-31 EP disclosed
WO-1989006235-A1 PYRIMIDINE AND PURINE 1,2-BUTADIENE-4-OLS AS ANTI-RETROVIRAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY TH (US) 1989-07-13 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-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors ME2, PC, ACACA NR1H2 1139/4885NR1H3 1227/4885MLYCD 6/4885

“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.