SCHEMBL1534076

SCHEMBL1534076

CC(=O)Nc1ccccc1SS

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 2/20 0.49
POLB P06746 1/20 0.49
CETP P11597 2/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE7A Q13946 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAOA P21397 1/20 0.45
CRBN Q96SW2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL29651063 0.84 KMT2A (0.62) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL10431594 0.84 ALDH1A1 (0.59) ALDH1A1HPGDCYP2C19POLBCETP
SCHEMBL1534062 0.84 CETP (0.65) ALDH1A1HPGDCYP2C19POLBCETP
SCHEMBL4938228 0.84 KMT2A (0.62) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL5685862 0.84 ALDH1A1 (0.46) ALDH1A1HPGDCYP2C19POLBCETP
SCHEMBL9721425 0.81 ALDH1A1 (0.55) ALDH1A1HPGDCYP2C19POLBCETP
SCHEMBL1534061 0.80 CETP (0.75) ALDH1A1POLBCETPTSHRMEN1
SCHEMBL6689158 0.79 ALDH1A1 (0.74) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL7722993 0.78 MAPT (0.68) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL7223894 0.78 CETP (0.53) ALDH1A1HPGDCYP2C19POLBCETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989263-B1 Method for identifying and using compounds that inactivate HIV-1 and other retroviruses by attacking highly conserved zinc fingers in the viral nucleocapsid protein THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-01-24 US claimed
US-20030198648-A1 Methods for identifying compounds which inhibit binding of nucleocapsid 7 protein to HIV-1 RNA ACHILION PHARMACEUTICALS 2003-10-23 US claimed
WO-2003060098-A2 METHODS FOR IDENTIFYING COMPOUNDS WHICH INHIBIT BINDING OF NUCLEOCAPSID 7 PROTEIN TO HIV-1 RNA ACHILLION PHARMACEUTICALS, INC. (US) 2003-07-24 WO claimed
EP-0782632-B1 A METHOD FOR IDENTIFYING AND USING COMPOUNDS THAT INACTIVATE HIV-1 AND OTHER RETROVIRUSES BY ATTACKING HIGHLY CONSERVED ZINC FINGERS IN THE VIRAL NUCLEOCAPSID PROTEIN US GOV HEALTH & HUMAN SERV (US) 2003-04-16 EP claimed
US-6001555-A DISSOCIATING A ZINC FINGER BY CONTACTING THE PROTEIN WITH A DISULFIDE, A MALEIMIDE, AN ALPHA-HALOGENATED KETONE, A HYDRAZIDE, A NITRIC OXIDE OR DERIVATIVES, CUPRIC IONS, FERRIC IONS OR THEIR COMPLEXES; SYNERGISTIC EFFECTS WITH VIRICIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-14 US claimed
EP-0782632-A1 A METHOD FOR IDENTIFYING AND USING COMPOUNDS THAT INACTIVATE HIV-1 AND OTHER RETROVIRUSES BY ATTACKING HIGHLY CONSERVED ZINC FINGERS IN THE VIRAL NUCLEOCAPSID PROTEIN THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the Secretary of the Department of Health and Human Services (US) 1997-07-09 EP claimed
WO-1996009406-A9 A METHOD FOR IDENTIFYING AND USING COMPOUNDS THAT INACTIVATE HIV-1 AND OTHER RETROVIRUSES BY ATTACKING HIGHLY CONSERVED ZINC FINGERS IN THE VIRAL NUCLEOCAPSID PROTEIN 1996-05-23 WO claimed
WO-1996009406-A1 A METHOD FOR IDENTIFYING AND USING COMPOUNDS THAT INACTIVATE HIV-1 AND OTHER RETROVIRUSES BY ATTACKING HIGHLY CONSERVED ZINC FINGERS IN THE VIRAL NUCLEOCAPSID PROTEIN THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-03-28 WO claimed
WO-2018039364-A1 COMPOSITIONS COMPRISING REVERSIBLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF DICERNA PHARMACEUTICALS, INC. (US) 2018-03-01 WO disclosed
US-20160160178-A1 IMMUNOTHERAPY USING STEM CELLS WHITE OAK IND INC (US) 2016-06-09 US disclosed
US-20150125489-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2015-05-07 US disclosed
US-9000045-B2 CETP activity inhibitors JAPAN TOBACCO INC. (JP) 2015-04-07 US disclosed
EP-2819696-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES Laboratorios Del. Dr. Esteve, S.A. (ES) 2015-01-07 EP disclosed
WO-2013127976-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-09-06 WO disclosed
US-6001555-A DISSOCIATING A ZINC FINGER BY CONTACTING THE PROTEIN WITH A DISULFIDE, A MALEIMIDE, AN ALPHA-HALOGENATED KETONE, A HYDRAZIDE, A NITRIC OXIDE OR DERIVATIVES, CUPRIC IONS, FERRIC IONS OR THEIR COMPLEXES; SYNERGISTIC EFFECTS WITH VIRICIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-14 US disclosed
WO-1997044064-A2 OLIGONUCLEOTIDES WHICH SPECIFICALLY BIND RETROVIRAL NUCLEOCAPSID PROTEINS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-11-27 WO disclosed
EP-0782632-A1 A METHOD FOR IDENTIFYING AND USING COMPOUNDS THAT INACTIVATE HIV-1 AND OTHER RETROVIRUSES BY ATTACKING HIGHLY CONSERVED ZINC FINGERS IN THE VIRAL NUCLEOCAPSID PROTEIN THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the Secretary of the Department of Health and Human Services (US) 1997-07-09 EP disclosed
WO-1996009406-A9 A METHOD FOR IDENTIFYING AND USING COMPOUNDS THAT INACTIVATE HIV-1 AND OTHER RETROVIRUSES BY ATTACKING HIGHLY CONSERVED ZINC FINGERS IN THE VIRAL NUCLEOCAPSID PROTEIN 1996-05-23 WO disclosed
WO-1996009406-A1 A METHOD FOR IDENTIFYING AND USING COMPOUNDS THAT INACTIVATE HIV-1 AND OTHER RETROVIRUSES BY ATTACKING HIGHLY CONSERVED ZINC FINGERS IN THE VIRAL NUCLEOCAPSID PROTEIN THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-03-28 WO disclosed
EP-0566080-A2 Silver halide photographic emulsions sensitized in the presence of organic dichalcogenides EASTMAN KODAK COMPANY (US) 1993-10-20 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 (3 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-20160160178-A1 IMMUNOTHERAPY USING STEM CELLS CD14, ICOS, BMP4 ALDH1A1 1648/4885HPGD 4043/4885CYP2C19 3314/4885
US-20150125489-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES CCR7, CD69, CD14 ALDH1A1 3097/4885HPGD 1616/4885CYP2C19 4475/4885
US-20030198648-A1 Methods for identifying compounds which inhibit binding of nucleocapsid 7 protein to HIV-1 RNA MRPS27, SNRPE, NSUN2 ALDH1A1 4104/4885HPGD 4262/4885CYP2C19 4883/4885

“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.