SCHEMBL368107

SCHEMBL368107

CCN(CC)CCSSCCN(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC2A1 P11166 1/20 0.37
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MGLL Q99685 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
SCHEMBL6420689 0.88 SLC2A1 (0.34) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL22282309 0.84 CHRM2 (0.32) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL31069932 0.83 SLC2A1 (0.32) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL950901 0.80 SLC2A1 (0.37) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL25840249 0.78 PLA2G1B (0.37) SLC2A1MGLL
SCHEMBL913401 0.78
SCHEMBL9557913 0.75
SCHEMBL5002428 0.75 MEN1 (0.34) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL5028953 0.75
SCHEMBL31069963 0.75

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 38 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
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-20220119662-A1 RADIATION CURABLE INKJET INKS FOR INTERIOR DECORATION AGFA NV (BE) 2022-04-21 US disclosed
EP-3686252-A1 RADIATION CURABLE INKJET INK FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT NV (BE) 2020-07-29 EP disclosed
US-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2016-02-25 US disclosed
US-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2016-02-25 US disclosed
US-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2016-02-25 US disclosed
US-9217015-B2 Cyclosporin derivatives for the treatment and prevention of a viral infection S&T GLOBAL INC. (US) 2015-12-22 US disclosed
US-9217015-B2 Cyclosporin derivatives for the treatment and prevention of a viral infection S&T GLOBAL INC. (US) 2015-12-22 US disclosed
US-20030092763-A1 Method for induction of L-selectin shedding SCIENCE & TECHNOLOGY CORPORATION @UNM 2003-05-15 US disclosed
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 disclosed
US-6498189-B1 SUPPRESSION OF INFLAMMATION AND OF LYMPH NODE ENTRY BY CALMODULIN ANTAGONISTS; CELL ASSOCIATED PROTEIN DISULFIDE ISOMERASE INHIBITORS; P-AMINOPHENYLARSINE OXIDES UNIVERSITY OF NEW MEXICO 2002-12-24 US 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-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
US-5965527-A CYCLOSPORIN A SULFIDED AT THE 3 POSITION BY R-(CH)N-S-BY REACTING A LITHIUM-ACTIVATED DERIVATIVE WITH THE DISULFIDE; SYNERGISTIC MIXTURE WITH A RETROVIRUS VIRICIDE; SIDE-EFFECT REDUCTION; AIDS AND ARC (AIDS RELATED COMPLEX) RHONE-POULENC RORER, S.A. (FR) 1999-10-12 US 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-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, ICOS CHRM2 4645/4885CHRM4 4605/4885CHRM1 4675/4885
US-20030198648-A1 Methods for identifying compounds which inhibit binding of nucleocapsid 7 protein to HIV-1 RNA MRPS27, SNRPE, NSUN2 CHRM2 4714/4885CHRM4 3843/4885CHRM1 4511/4885
US-20030092763-A1 Method for induction of L-selectin shedding PDIA5, PDIA4, PDIA6 CHRM2 3821/4885CHRM4 3112/4885CHRM1 3677/4885

“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.