SCHEMBL4468688

SCHEMBL4468688

O=C(CS)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.64
ALDH1A1 P00352 4/20 0.63
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
TDP1 Q9NUW8 3/20 0.58
ALPL P05186 2/20 0.58
KDM4E B2RXH2 6/20 0.54
MAPT P10636 5/20 0.54
GAA P10253 4/20 0.53
HTT P42858 3/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PPIA P62937 1/20 0.52
LMNA P02545 2/20 0.52

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
SCHEMBL28451182 0.80 ALDH1A1 (0.71) CTSDALDH1A1MEN1KMT2ATDP1
SCHEMBL9763219 0.79 CTSD (0.70) CTSDALDH1A1MEN1KMT2ATDP1
SCHEMBL962966 0.78 CTSD (1.00) CTSDALDH1A1MEN1KMT2ATDP1
SCHEMBL11298067 0.78 ALDH1A1 (0.72) CTSDALDH1A1MEN1KMT2ATDP1
SCHEMBL296470 0.76 ALDH1A1 (0.76) CTSDALDH1A1MEN1KMT2ATDP1
SCHEMBL31621278 0.76 ALDH1A1 (0.76) CTSDALDH1A1MEN1KMT2ATDP1
SCHEMBL6971514 0.76 ALDH1A1 (0.76) CTSDALDH1A1MEN1KMT2ATDP1
SCHEMBL4543254 0.76 CTSD (0.66) CTSDALDH1A1MEN1KMT2ATDP1
SCHEMBL9770714 0.76 LMNA (0.65) CTSDALDH1A1MEN1KMT2ATDP1
SCHEMBL10602289 0.76 CTSD (0.70) CTSDALDH1A1MEN1KMT2ATDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625917-B2 S-o-(phenylaminocarbonyl)phenyl-substituted, especially with a quaternary onium group; enhanced antiviral activity and better reactivity with zinc finger moieties, particularly, the zinc finger on HIV-1's NCp7 nucleocapsid protein TURPIN JAMES A 2009-12-01 US disclosed
EP-1087941-B9 THIOLESTERS AND USES THEREOF US HEALTH (US) 2007-11-07 EP disclosed
EP-1087941-B1 THIOLESTERS AND USES THEREOF US HEALTH (US) 2006-08-16 EP disclosed
US-20040132785-A1 Thiolesters and uses thereof The Government of the U. S.of America as Represented by The Sec. of Health and Human Svc. (US) 2004-07-08 US disclosed
EP-1087941-A2 THIOLESTERS AND USES THEREOF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2001-04-04 EP disclosed
WO-1999065871-A2 THIOLESTERS AND USES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-23 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 (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-20040132785-A1 Thiolesters and uses thereof SARS1, HAVCR2, P4HB CTSD 2174/4885ALDH1A1 552/4885MEN1 4144/4885

“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.