SCHEMBL5024770

SCHEMBL5024770

O=[N+]([O-])c1ccc(Cl)c(SSc2cc([N+](=O)[O-])ccc2Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
VCAM1 P19320 1/20 0.53
PDE7A Q13946 8/20 0.51
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE7B Q9NP56 1/20 0.49
TXNRD1 Q16881 1/20 0.48
TXNRD3 Q86VQ6 1/20 0.48
TXNRD2 Q9NNW7 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSP90AA1 P07900 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.44
THRB P10828 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
SCHEMBL30388476 1.00 HSD17B10 (0.64) HSD17B10VCAM1PDE7APDE4BPDE4D
SCHEMBL19625104 0.89 HSD17B10 (0.60) HSD17B10VCAM1PDE7APDE4BPDE4D
SCHEMBL927819 0.85 HSD17B10 (0.60) HSD17B10VCAM1PDE7APDE4BPDE4D
SCHEMBL5024771 0.85 HSD17B10 (0.60) HSD17B10VCAM1PDE7APDE4BPDE4D
SCHEMBL7007089 0.80 HSD17B10 (0.55) HSD17B10VCAM1PDE7APDE4BPDE4D
SCHEMBL926448 0.80 VCAM1 (0.58) HSD17B10VCAM1PDE7APDE4BPDE4D
SCHEMBL29360183 0.79 HSD17B10 (1.00) HSD17B10VCAM1PDE7APDE4BPDE4D
SCHEMBL85918 0.79 HSD17B10 (1.00) HSD17B10VCAM1PDE7APDE4BPDE4D
SCHEMBL18562632 0.78 HSD17B10 (0.51) HSD17B10VCAM1PDE7APDE4BPDE4D
SCHEMBL6722827 0.78 HSD17B10 (0.51) HSD17B10VCAM1PDE7APDE4BPDE4D

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 55 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-3395171-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-31 EP disclosed
EP-3010889-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-10-03 EP disclosed
US-10051861-B2 N-arylamidine-substituted trifluoroethyl sulfide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2018-08-21 US disclosed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP disclosed
US-9981928-B2 Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-29 US disclosed
US-9981928-B2 Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-29 US disclosed
US-9981928-B2 Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-29 US disclosed
EP-0962450-B1 Process for the preparation of perfluoalkylaryl sulfides BAYER AG (DE) 2003-01-08 EP disclosed
US-6316190-B1 FOR DETECTING OR PURIFYING HUMAN IMMUNODEFICIENCY VIRUS(HIV) FROM BLOOD SAMPLE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-11-13 US disclosed
US-6175042-B1 A CHEMICAL INTERMEDIATE FOR AGROCHEMICALS, PHARMACEUTICALS, DYES, AND POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed
EP-1011729-A2 OLIGONUCLEOTIDES WHICH SPECIFICALLY BIND RETROVIRAL NUCLEOCAPSID PROTEINS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-06-28 EP 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
EP-0962450-A1 Process for the preparation of perfluoalkylaryl sulfides and perfluoroalkylaryl sulfides per se Bayer Aktiengesellschaft (DE) 1999-12-08 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10051861-B2 N-arylamidine-substituted trifluoroethyl sulfide derivatives as acaricides and insecticides AFF4, AFF1, ARSA HSD17B10 2914/4885VCAM1 4879/4885PDE7A 4106/4885
US-20030198648-A1 Methods for identifying compounds which inhibit binding of nucleocapsid 7 protein to HIV-1 RNA MRPS27, SNRPE, NSUN2 HSD17B10 3393/4885VCAM1 652/4885PDE7A 352/4885

“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.