SCHEMBL1493862

SCHEMBL1493862

C=CC[N]OCCCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
ALDH1A1 P00352 1/20 0.37
FAAH O00519 1/20 0.32
HPGD P15428 1/20 0.32
PLA2G2C Q5R387 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CA12 O43570 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5933287 0.74
SCHEMBL4565912 0.72 PRSS1 (0.38) TSHRCA1CA2CA9MEN1
SCHEMBL5932171 0.72 THRB (0.42) TSHRCA1CA2CA9MEN1
SCHEMBL5932453 0.72 THRB (0.42) TSHRCA1CA2CA9MEN1
SCHEMBL5932320 0.72 THRB (0.42) TSHRCA1CA2CA9MEN1
SCHEMBL6336308 0.72 THRB (0.35) TSHRCA1CA2CA9MEN1
SCHEMBL5932742 0.72 THRB (0.42) TSHRCA1CA2CA9MEN1
SCHEMBL5932707 0.72 THRB (0.42) TSHRCA1CA2CA9MEN1
SCHEMBL6331643 0.70 THRB (0.40) TSHRCA1CA2CA9MEN1
SCHEMBL10706187 0.70 THRB (0.40) TSHRCA1CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088098-B2 FITNESS ASSAY AND METHODS FOR REDUCING RESISTANCE OF HIV TO THERAPY US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2015-07-01 EP claimed
US-20140011815-A1 FITNESS ASSAY AND ASSOCIATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-01-09 US claimed
US-8597876-B2 Method of treating HIV infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-12-03 US claimed
EP-2336134-A1 Fitness assay and methods for reducing resistance of HIV to therapy The United States of America, represented by the Secretary, Department of Health and Human Services (US) 2011-06-22 EP claimed
EP-1088098-B1 MEDICAMENT FOR TREATING HIV-INFECTED MAMMALS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2011-03-09 EP claimed
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS GILEAD SCIENCES, INC. 2009-12-17 US claimed
EP-2069356-A1 BISFURANYL PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2009-06-17 EP claimed
US-20080085918-A1 Fluorogenic; for measuring anti-HIV protease activity of inhibitor; drug resistance; bioavailability; can be used to predict the emergence of drug resistance for a particular replicating biological entity (e.g., a disease-causing cell) in the presence a drug (e.g., an inhibitor) GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMEMT OF HEALTH AND (US) 2008-04-10 US claimed
US-20080070910-A1 Therapeutic compounds and methods GILEAD SCIENCES, INC. 2008-03-20 US claimed
WO-2008013834-A1 BISFURANYL PROTEASE INHIBITORS GILEAD SCIENCES, INC., (US) 2008-01-31 WO claimed
US-20050158713-A1 Fluorogenic; for measuring anti-HIV protease activity of inhibitor; drug resistance; bioavailability THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-07-21 US claimed
JP-2002518063-A 2002-06-25 JP claimed
EP-1088098-A2 FITNESS ASSAY AND ASSOCIATED METHODS UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND SOCIAL SERVICES (US) 2001-04-04 EP claimed
WO-1999067254-A2 MULTI-DRUG RESISTANT RETROVIRAL PROTEASE INHIBITORS AND USE THEREOF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-29 WO claimed
WO-1999067417-A2 FITNESS ASSAY AND ASSOCIATED METHODS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-29 WO claimed
US-9889115-B2 Fitness assay and associated methods BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-02-13 US disclosed
EP-1088098-B2 FITNESS ASSAY AND METHODS FOR REDUCING RESISTANCE OF HIV TO THERAPY US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2015-07-01 EP disclosed
CN-1044672-A COATING PROCESS AND COMPOSITION COURTAULDS COATINGS LTD (GB) 1990-08-15 CN disclosed
CN-1039435-A Coating composition COURTAULDS COATINGS LTD (GB) 1990-02-07 CN disclosed
EP-0259172-A2 Coating composition COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) 1988-03-09 EP 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 (4 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-20140011815-A1 FITNESS ASSAY AND ASSOCIATED METHODS CPS1, CTSS, TST TSHR 3041/4885ALDH1A1 1735/4885FAAH 1034/4885
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS SERPINB1, ABCC1, SERPINB6 TSHR 2054/4885ALDH1A1 1840/4885FAAH 2071/4885
US-20080085918-A1 Fluorogenic; for measuring anti-HIV protease activity of inhibitor; drug resistance; bioavailability; can be used to predict the emergence of drug resistance for a particular replicating biological entity (e.g., a disease-causing cell) in the presence a drug (e.g., an inhibitor) CTSS, CTSE, FURIN TSHR 3160/4885ALDH1A1 3823/4885FAAH 618/4885
US-20080070910-A1 Therapeutic compounds and methods SERPINB1, ABCC1, SERPINB6 TSHR 2054/4885ALDH1A1 1840/4885FAAH 2071/4885

“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.