SCHEMBL5031044

SCHEMBL5031044

CSSC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CES1 P23141 7/20 0.46
CES2 O00748 6/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Hydrazine SCHEMBL28072930 0.96 TSHR (0.44) KMT2AMEN1CES1CES2TSHR
SCHEMBL168007 0.85 CES1 (0.55) KMT2AMEN1CES1CES2TSHR
Water SCHEMBL27612226 0.82 CES1 (0.52) KMT2AMEN1CES1CES2TSHR
Hydrochloric Acid SCHEMBL28496848 0.82 CES1 (0.52) KMT2AMEN1CES1CES2TSHR
Hydrogen Sulfide SCHEMBL28111724 0.82 CES1 (0.52) KMT2AMEN1CES1CES2TSHR
SCHEMBL312084 0.80 CES1 (0.50) KMT2AMEN1CES1CES2TSHR
SCHEMBL812709 0.80 KMT2A (0.56) KMT2AMEN1CES1CES2TSHR
SCHEMBL776222 0.79 ALDH1A1 (0.52) KMT2AMEN1CES1CES2ALDH1A1
SCHEMBL11623306 0.79 CES1 (0.48) KMT2AMEN1CES1CES2TSHR
Hydrochloric Acid SCHEMBL6682457 0.78 KMT2A (0.54) KMT2AMEN1CES1CES2TSHR

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 33 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
CN-117357548-A Oligonucleotide composition and method for preparing same 美国杰龙生物医药公司 2024-01-09 CN disclosed
CN-111228288-B Oligonucleotide composition and method for preparing same 美国杰龙生物医药公司 2023-10-20 CN disclosed
EP-3834828-B1 COMPOSITION COMPRISING A THIAMINE DERIVATIVE FOR USE IN THE PREVENTION OR TREATMENT OF VASCULAR OR CARDIAC VALVE CALCIFICATION KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2022-06-08 EP 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
EP-2819696-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES Laboratorios Del. Dr. Esteve, S.A. (ES) 2015-01-07 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
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
US-4119780-A 2(Isopropyldithio)benzimidazole MONSANTO COMPANY (US) 1978-10-10 US disclosed
US-4006155-A Method for preparation of phosphorus polysulfides MONSANTO COMPANY (US) 1977-02-01 US 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 KMT2A 2022/4885MEN1 1157/4885CES1 2138/4885
US-20150125489-A1 METHOD FOR THE PREPARATION OF DENDRITIC CELL VACCINES CCR7, CD69, CD14 KMT2A 4547/4885MEN1 4038/4885CES1 2366/4885
US-20030198648-A1 Methods for identifying compounds which inhibit binding of nucleocapsid 7 protein to HIV-1 RNA MRPS27, SNRPE, NSUN2 KMT2A 4492/4885MEN1 4009/4885CES1 2835/4885

“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.