SCHEMBL4109280

SCHEMBL4109280

C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCNCCCN(S(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD4 P01730 14/20 0.60
SORT1 Q99523 1/20 0.60
PKM P14618 3/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 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
SCHEMBL21361467 0.91 CD4 (0.53) CD4SORT1PKMALDH1A1POLB
SCHEMBL4114635 0.88 PKM (0.75) CD4SORT1PKMALDH1A1POLB
SCHEMBL23217199 0.88 PKM (0.74) PKMALDH1A1POLBHTTLMNA
Bromide SCHEMBL1159786 0.86 PKM (0.72) PKMALDH1A1POLBHTTLMNA
SCHEMBL1956663 0.85 ALDH1A1 (0.70) PKMALDH1A1POLBHTTLMNA
SCHEMBL23102209 0.84 CD4 (0.47) CD4SORT1PKMALDH1A1POLB
SCHEMBL13925171 0.84 KMT2A (0.71) CD4SORT1PKMALDH1A1POLB
SCHEMBL6407569 0.83 CD4 (0.64) CD4SORT1PKMALDH1A1POLB
SCHEMBL3111901 0.82 ALDH1A1 (0.76) PKMALDH1A1POLBHTTLMNA
SCHEMBL3110165 0.82 PKM (0.54) CD4SORT1PKMALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020019423-A1 Anti-viral triaza compounds BELL THOMAS W (US) 2002-02-14 US claimed
US-6342492-B1 VIRICIDES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2002-01-29 US claimed
EP-0809504-A4 ANTI-VIRAL TRIAZA COMPOUNDS UNIV NEW YORK STATE RES FOUND (US) 1998-11-04 EP claimed
EP-0809504-A1 ANTI-VIRAL TRIAZA COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-12-03 EP claimed
US-5663161-A TRIAZACYCLO COMPOUNDS AS VIRICIDES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-09-02 US claimed
WO-1996025167-A1 ANTI-VIRAL TRIAZA COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-08-22 WO claimed
US-20090048222-A1 Triaza Compound Immunoregulatory Agents BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO 2009-02-19 US disclosed
US-20040220164-A1 Triaza compound immunoregulatory agents BELL THOMAS (US) 2004-11-04 US disclosed
WO-2002080856-A2 TRIAZA COMPOUND IMMUNOREGULATORY AGENTS UNIVERSITY AND COMMUNITY COLLEGE SYSTEM OF NEVADA ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2002-10-17 WO disclosed
US-20020019423-A1 Anti-viral triaza compounds BELL THOMAS W (US) 2002-02-14 US disclosed
US-6342492-B1 VIRICIDES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2002-01-29 US disclosed
EP-0809504-A4 ANTI-VIRAL TRIAZA COMPOUNDS UNIV NEW YORK STATE RES FOUND (US) 1998-11-04 EP disclosed
EP-0809504-A1 ANTI-VIRAL TRIAZA COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-12-03 EP disclosed
US-5663161-A TRIAZACYCLO COMPOUNDS AS VIRICIDES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-09-02 US disclosed
WO-1996025167-A1 ANTI-VIRAL TRIAZA COMPOUNDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-08-22 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 (3 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-20020019423-A1 Anti-viral triaza compounds ZC3HAV1, MAVS, BAZ1A CD4 10/4885SORT1 4881/4885PKM 1994/4885
US-20040220164-A1 Triaza compound immunoregulatory agents CD4, NFATC1, IKZF3 CD4 1/4885SORT1 4792/4885PKM 4321/4885
US-20090048222-A1 Triaza Compound Immunoregulatory Agents CD4, NFATC1, IKZF3 CD4 1/4885SORT1 4792/4885PKM 4321/4885

“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.