SCHEMBL224653

SCHEMBL224653

N#Cc1ccccc1SSc1ccccc1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ESR2 Q92731 1/20 0.39
AR P10275 3/20 0.39
PGR P06401 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL30320250 1.00 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL11213795 0.90 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL11023834 0.90 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL100732 0.84 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL28898793 0.81 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL514630 0.80 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL11241316 0.80 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL4968573 0.80 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1888696 0.80 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL514629 0.80 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974809-B Method for preparing benzo [ d ] isothiazolin-3 (2H) -ketone through oxygen transfer reaction 北京探微精细化工科技有限公司 2023-06-27 CN claimed
CN-115974809-A Method for preparing benzo [ d ] isothiazoline-3 (2H) -ketone by oxygen transfer reaction 北京探微精细化工科技有限公司 2023-04-18 CN claimed
CN-111072587-A Method for preparing benzo [ d ] isothiazoline-3 (2H) -ketone by catalyzing oxidation cyclization of molecular oxygen 陕西中杰科仪化学科技有限公司 2020-04-28 CN claimed
US-6998444-B2 Vulcanization accelerator in crosslinked cis-polybutadiene core for increase compression and low coefficient of restitution, without causing any isomerism; use small amounts of crosslinker zinc diacrylate ACUSHNET COMPANY (US) 2006-02-14 US claimed
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-20050256274-A1 Golf ball core compositions JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-11-17 US claimed
US-6960629-B2 Use of a metallic mercaptothiazole or metallic mercaptobenzothiazole in golf ball compositions ACUSHNET COMPANY (US) 2005-11-01 US claimed
US-20040230006-A1 Use of a metallic mercaptothiazole or metallic mercaptobenzothiazole in golf ball compositions JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-18 US claimed
US-20040230005-A1 Use of a metallic mercaptothiazole or metallic mercaptobenzothiazole in golf ball compositions ACUSHNET COMPANY 2004-11-18 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-0741129-B1 Cyanobenzenesulfenyl halide and process for preparation of 3-substituted benzisothiazole using it SUMITOMO SEIKA CHEMICALS (JP) 1999-06-09 EP claimed
US-5861465-A VULCANIZED RUBBER CONTAINING A DIPHENYL AND DINAPHTHYL DISULFIDE; IMPACT STRENGTH, RESILIENCE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 1999-01-19 US claimed
US-5679827-A Cyanobenzenesulfenyl halide and process for preparation of 3-substituted benzisothiazole using the same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-10-21 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
EP-0741129-A2 Cyanobenzenesulfenyl halide and process for preparation of 3-substituted benzisothiazole using it SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-06 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

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

For each of this compound's patents that has machine-readable text (1 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-20030198648-A1 Methods for identifying compounds which inhibit binding of nucleocapsid 7 protein to HIV-1 RNA MRPS27, SNRPE, NSUN2 CYP1A2 4851/4885CYP3A4 4653/4885CYP2C9 4879/4885

“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.