SCHEMBL5861086

SCHEMBL5861086

O=[N+]([O-])c1cc(SS)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 13/20 0.51
TDP1 Q9NUW8 1/20 0.50
PDE7A Q13946 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL30387572 0.85 VCAM1 (0.55) VCAM1TDP1PDE7ATSHRMAPK1
SCHEMBL5861079 0.85 VCAM1 (0.55) VCAM1TDP1PDE7ATSHRMAPK1
SCHEMBL18657403 0.85 PDE7A (0.60) VCAM1TDP1PDE7ATSHRMAPK1
SCHEMBL2080483 0.81 VCAM1 (0.51) VCAM1TDP1PDE7AMAPK1
SCHEMBL21573611 0.81 VCAM1 (0.54) VCAM1TDP1PDE7ATSHRMAPK1
SCHEMBL27957717 0.80 VCAM1 (0.50) VCAM1TDP1PDE7ATSHRMAPK1
SCHEMBL23507204 0.79 PDE7A (0.58) VCAM1TDP1PDE7ATSHRMAPK1
SCHEMBL24254563 0.77 VCAM1 (0.54) VCAM1TDP1
SCHEMBL11574501 0.77 PDE7A (0.56) VCAM1TDP1PDE7A
SCHEMBL9182158 0.77 VCAM1 (0.47) VCAM1TDP1PDE7ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6943268-B2 Method for induction of L-selectin shedding SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2005-09-13 US disclosed
US-20030092763-A1 Method for induction of L-selectin shedding SCIENCE & TECHNOLOGY CORPORATION @UNM 2003-05-15 US disclosed
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 disclosed
US-6498189-B1 SUPPRESSION OF INFLAMMATION AND OF LYMPH NODE ENTRY BY CALMODULIN ANTAGONISTS; CELL ASSOCIATED PROTEIN DISULFIDE ISOMERASE INHIBITORS; P-AMINOPHENYLARSINE OXIDES UNIVERSITY OF NEW MEXICO 2002-12-24 US 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-20030092763-A1 Method for induction of L-selectin shedding PDIA5, PDIA4, PDIA6 VCAM1 14/4885TDP1 3141/4885PDE7A 2979/4885

“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.