SCHEMBL6859633

SCHEMBL6859633

CS(=O)(=O)c1ccc(C(=O)C2=C(O)CCCC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 3/20 0.43
HPD P32754 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
WRN Q14191 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ERN1 O75460 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
SCHEMBL7996379 0.88 ALDH3A1 (0.44) ALDH3A1HPDALDH1A1LMNAGAA
SCHEMBL7993331 0.88 PTGS1 (0.44) ALDH3A1HPDALDH1A1LMNAGAA
SCHEMBL7995073 0.86 ALDH3A1 (0.43) ALDH3A1HPDALDH1A1LMNAGAA
SCHEMBL6866312 0.81 MAPT (0.44) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL8220420 0.80 HPD (0.67) HPDALDH1A1LMNAGAAMAPT
SCHEMBL2047969 0.79 ALDH1A1 (0.40) ALDH3A1HPDALDH1A1LMNAGAA
Mesotrione SCHEMBL29352201 0.77 HPD (0.62) ALDH3A1HPDALDH1A1LMNAGAA
Mesotrione SCHEMBL22116 0.77 HPD (0.62) ALDH3A1HPDALDH1A1LMNAGAA
Mesotrione SCHEMBL4895947 0.77 HPD (0.62) ALDH3A1HPDALDH1A1LMNAGAA
SCHEMBL28465253 0.77 ALDH3A1 (0.46) ALDH3A1HPDALDH1A1LMNAGAA

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
WO-2023066372-A1 AZAINDOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF, AND HERBICIDE 山东先达农化股份有限公司 2023-04-27 WO disclosed
US-6809206-B2 CONTACTING A PHENYL ESTER COMPOUND WITH A CYCLIC COMPOUND IN THE PRESENCE OF A SOURCE OF CYANIDE OR FLUORIDE TO PREPARE ACYLATED CYCLIC 1,3-DICARBONYL COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY 2004-10-26 US disclosed
US-20030232984-A1 Method for acylating cyclic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-18 US disclosed
US-20020049317-A1 Method for acylating cyclic compounds E.I. DU PONT DE NEMOURS AND COMPANY 2002-04-25 US disclosed
EP-0968649-A1 Adjuvants for novel dry herbicide formulations E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-01-05 EP 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-20020049317-A1 Method for acylating cyclic compounds LCAT, ACOT7, AGPAT5 ALDH3A1 1699/4885HPD 1145/4885ALDH1A1 3181/4885
US-20030232984-A1 Method for acylating cyclic compounds LCAT, ACOT7, AGPAT5 ALDH3A1 1699/4885HPD 1145/4885ALDH1A1 3181/4885

“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.