SCHEMBL4449468

SCHEMBL4449468

O=C(ON1C(=O)CCC1=O)c1ccccc1SSc1ccccc1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARL Q9H300 2/20 0.37
MGLL Q99685 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CRBN Q96SW2 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8540066 0.80 TSHR (0.50) ALDH1A1HPGDSMN1; SMN2PARLHSD17B10
SCHEMBL5303474 0.80 ALDH1A1 (0.48) POLBALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL4452624 0.79 MGLL (0.40) POLBALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL31225704 0.79 KMT2A (0.57) POLBALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL3403578 0.79 ALDH1A1 (0.51) POLBALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL8335906 0.79 ITGB1 (0.43) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL74375 0.79 TSHR (0.49) POLBALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL317739 0.79 CES2 (0.46) ALDH1A1HPGDL3MBTL1KMT2AHSD17B10
SCHEMBL29414333 0.79 CES2 (0.46) ALDH1A1HPGDL3MBTL1KMT2AHSD17B10
SCHEMBL29832234 0.79 ALDH1A1 (0.51) POLBALDH1A1HPGDL3MBTL1KMT2A

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 8 patents. 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

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 POLB 2235/4885ALDH1A1 1936/4885HPGD 2341/4885
US-20050020831-A1 Acylthiols and component thiol compositions as anti-hiv and anti-retroviral agents ZC3HAV1, ACAT2, ACAT1 POLB 1647/4885ALDH1A1 2593/4885HPGD 2768/4885

“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.