SCHEMBL4119590

SCHEMBL4119590

O=S(=O)(NCCCN(CCCNS(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
PKM P14618 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
KEAP1 Q14145 1/20 0.53
MAPK1 P28482 1/20 0.53
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
TBXA2R P21731 1/20 0.51
HTR7 P34969 1/20 0.51
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48

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
Hydrochloric Acid SCHEMBL7621278 0.98 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL7203881 0.90 CA12 (0.63) ALDH1A1LMNASMN1; SMN2TMEM97SIGMAR1
SCHEMBL7617408 0.87 ALDH1A1 (0.66) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL7206800 0.83 CA12 (0.54) ALDH1A1TMEM97SIGMAR1OPRM1OPRK1
SCHEMBL16359721 0.83 USP2 (0.69) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL7617426 0.81 TDP1 (0.52) ALDH1A1KDM4ETMEM97SIGMAR1OPRK1
SCHEMBL3969287 0.81 OPRK1 (0.63) ALDH1A1LMNASMN1; SMN2TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL7776628 0.80 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL10453840 0.79 ALDH1A1 (0.96) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL7201652 0.79 CNR2 (0.53) ALDH1A1LMNATMEM97SIGMAR1OPRM1

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 11 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
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-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
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 (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-20020019423-A1 Anti-viral triaza compounds ZC3HAV1, MAVS, BAZ1A ALDH1A1 1847/4885KDM4E 703/4885LMNA 863/4885
US-20090048222-A1 Triaza Compound Immunoregulatory Agents CD4, NFATC1, IKZF3 ALDH1A1 1749/4885KDM4E 960/4885LMNA 3748/4885

“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.