SCHEMBL4449083

SCHEMBL4449083

O=C(ON1C(=O)CCC1=O)c1cccnc1SSc1ncccc1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.39
TSHR P16473 2/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL1923452 0.78 CNR2 (0.41) RAB9AALDH1A1HTTNPC1MGLL
Hydrochloric Acid SCHEMBL7062209 0.77 CNR2 (0.40) RAB9AALDH1A1HTTNPC1MGLL
SCHEMBL4449468 0.76 POLB (0.46) L3MBTL1KMT2ATDP1ALDH1A1CRBN
Acetone SCHEMBL538075 0.75 CNR2 (0.41) RAB9ATDP1ALDH1A1HTTNPC1
SCHEMBL18795683 0.73 L3MBTL1 (0.64) L3MBTL1TSHRCASP3SENP8SENP7
SCHEMBL8686905 0.73 MAP2K1 (0.63) KMT2A
SCHEMBL1746858 0.73 ALDH1A1 (0.35) L3MBTL1TSHRCASP3SENP8SENP7
SCHEMBL992708 0.73 KMT2A (0.56) L3MBTL1PKMRAB9AKMT2AMEN1
SCHEMBL5303474 0.72 ALDH1A1 (0.48) L3MBTL1KMT2AALDH1A1GAAMGLL
SCHEMBL8540066 0.72 TSHR (0.50) TSHRRAB9ATDP1ALDH1A1GAA

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 L3MBTL1 340/4885TSHR 4243/4885CASP3 2149/4885
US-20050020831-A1 Acylthiols and component thiol compositions as anti-hiv and anti-retroviral agents ZC3HAV1, ACAT2, ACAT1 L3MBTL1 183/4885TSHR 4503/4885CASP3 2616/4885

“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.