SCHEMBL4452821

SCHEMBL4452821

O=C(Cl)c1cccnc1SSc1ncccc1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 7/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 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
SCHEMBL934289 0.85 KMT2A (0.56) TDP1ALDH1A1GAANPC1RAB9A
SCHEMBL16935824 0.83 ALDH1A1 (0.47) SMN1; SMN2LMNAPKMKDM4ETDP1
SCHEMBL146157 0.82 ALDH1A1 (0.62) SMN1; SMN2LMNAPKMKDM4ETDP1
SCHEMBL7110016 0.80 SMN1; SMN2 (0.61) SMN1; SMN2LMNAPKMALDH1A1CYP2C9
SCHEMBL5660651 0.80 ALDH1A1 (0.49) SMN1; SMN2PKMKDM4EALDH1A1CYP2C9
SCHEMBL11504619 0.80 ALDH1A1 (0.60) SMN1; SMN2LMNAPKMKDM4ETDP1
SCHEMBL11504621 0.78 ALDH1A1 (0.44) SMN1; SMN2LMNAPKMKDM4ETDP1
SCHEMBL14580275 0.78 HSD11B1 (0.57) SMN1; SMN2PKMALDH1A1CYP2C9GAA
SCHEMBL31544569 0.78 HSD11B1 (0.57) SMN1; SMN2PKMALDH1A1CYP2C9GAA
SCHEMBL14040985 0.78 ALDH1A1 (0.58) SMN1; SMN2LMNAPKMKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425262-B1 Acylthiols and compositions thereof as anti-HIV and anti-retroviral agents GOV OF USA AS REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES NAT INST OF HEALTH (US) 2014-01-08 EP disclosed
US-8076372-B2 Acythiols and component thiol compositions as anti-HIV and anti-retroviral agents GOVERNMENT OF THE UNITED STATES (US) 2011-12-13 US disclosed
US-20090247473-A1 ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS THE GOVERNMENT OF THE U.S.A.,AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) 2009-10-01 US disclosed
US-7528274-B2 Acylthiols and component thiol compositions as anti-HIV and anti-retroviral agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-05-05 US disclosed
EP-1425262-A4 ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS US GOV HEALTH & HUMAN SERV (US) 2006-03-08 EP disclosed
US-20050020831-A1 Acylthiols and component thiol compositions as anti-hiv and anti-retroviral agents GOVERNMENT OF THE UNITED STATES 2005-01-27 US disclosed
EP-1425262-A1 ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS The Gov. of USA, as represented by the Secretary, Dept. of Health and Human services, National Institutes of Health (US) 2004-06-09 EP disclosed
WO-2003014062-A1 ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-02-20 WO disclosed
US-6133270-A Isothiazolones and pharmaceutical formulations WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
US-6001863-A USEFUL AS ANTIVIRAL, ANTIINFLAMMATORY AND ANTIATHEROSCLEROSIS AGENT; ADMINISTERING TO THE PATIENT IN NEED OF ZINC EJECTION FROM NUCLEOCAPSID PROTEIN WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
US-5889034-A ANTIINFLAMMATORY AGENT; ANTIATHEROSCLEROSIS AGENT; VIRICIDES WARNER-LAMBERT COMPANY (US) 1999-03-30 US disclosed
US-5734081-A Arylthio compounds WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
US-5733921-A ANTIRETROVIRAL AGENTS; ANTIINFLAMMATORY AGENTS; ANTIATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
EP-0828488-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP disclosed
US-5668291-A THIOSUBSTITUTED PYRIDINES, TREATMENT OF AIDS AND HIV WARNER-LAMBERT COMPANY (US) 1997-09-16 US disclosed
US-5668162-A Isothiazolones lower plasma levels of lipoprotein(a) WARNER-LAMBERT COMPANY 1997-09-16 US disclosed
EP-0775110-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1997-05-28 EP disclosed
US-5620997-A VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIATHEROSCLEROTIC AGENT WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
WO-1996038144-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1996-12-05 WO disclosed
WO-1996004242-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-15 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-20090247473-A1 ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS ZC3HAV1, ZFP3, ATL3 SMN1; SMN2 3780/4885LMNA 4472/4885PKM 4166/4885
US-20050020831-A1 Acylthiols and component thiol compositions as anti-hiv and anti-retroviral agents ZC3HAV1, ACAT2, ACAT1 SMN1; SMN2 3835/4885LMNA 4523/4885PKM 4195/4885

“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.