SCHEMBL5026211

SCHEMBL5026211

COc1cccc(SS)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 1/20 0.43
HTR3A P46098 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NFE2L2 Q16236 5/20 0.41
CYP1A1 P04798 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP1B1 Q16678 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5026209 0.83 SMN1; SMN2 (0.48) SMN1; SMN2HTR1AHTR3ACA12CA1
SCHEMBL8425831 0.81 CYP1A2 (0.47) SMN1; SMN2HTR1AHTR3ACA12CA1
SCHEMBL2059269 0.80 CA1 (0.55) HTR1AHTR3ACA12CA1CA2
SCHEMBL8425830 0.79 SMN1; SMN2 (0.45) SMN1; SMN2HTR1AHTR3ACA12CA1
SCHEMBL25434306 0.77 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL151213 0.77 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL27753904 0.77 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL7056347 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HTR1AHTR3ACA12CA1
SCHEMBL19982800 0.75 SMN1; SMN2 (0.41) SMN1; SMN2HTR1AHTR3ACA12CA1
SCHEMBL9109781 0.75 SMN1; SMN2 (0.46) SMN1; SMN2HTR1AHTR3ACA12CA1

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 30 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
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
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
EP-1011729-B1 OLIGONUCLEOTIDES WHICH SPECIFICALLY BIND RETROVIRAL NUCLEOCAPSID PROTEINS US GOV HEALTH & HUMAN SERV (US) 2008-01-09 EP disclosed
US-7101676-B2 Methods for identifying compounds which inhibit binding of nucleocapsid 7 protein to HIV-1 RNA ACHILION PHARMACEUTICALS 2006-09-05 US disclosed
EP-0960096-A1 SUBSTITUTED $g(b)-THIOCARBOXYLIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-12-01 EP disclosed
WO-1998032734-A1 SUBSTITUTED β-THIOCARBOXYLIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-30 WO 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

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 SMN1; SMN2 2370/4885HTR1A 2899/4885HTR3A 1120/4885
US-20150125489-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES CCR7, CD69, CD14 SMN1; SMN2 2803/4885HTR1A 4881/4885HTR3A 4831/4885
US-20030198648-A1 Methods for identifying compounds which inhibit binding of nucleocapsid 7 protein to HIV-1 RNA MRPS27, SNRPE, NSUN2 SMN1; SMN2 3061/4885HTR1A 3866/4885HTR3A 3262/4885

“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.