SCHEMBL998546

SCHEMBL998546

CS(=O)(=O)Oc1ccc(C(=O)C2C(=O)C3CCC(C3)C2=O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.39
POLB P06746 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
ALDH1A1 P00352 8/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 4/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
VCAM1 P19320 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL999603 0.84 HPD (0.42) HPDKDM4EALDH1A1MEN1KMT2A
SCHEMBL30177033 0.83 HPD (0.58) HPDENPP3ENPP1MEN1KMT2A
SCHEMBL1860425 0.83 HPD (0.58) HPDENPP3ENPP1MEN1KMT2A
SCHEMBL8697053 0.82 ENPP3 (0.35) KDM4EENPP3ENPP1ALDH1A1GAA
SCHEMBL997958 0.80 HPD (0.39) HPDPOLBKDM4EALDH1A1MEN1
SCHEMBL9739114 0.79 HPD (0.38) HPDPOLBKDM4EALDH1A1MEN1
SCHEMBL9738404 0.79 HPD (0.38) HPDKDM4EALDH1A1MEN1KMT2A
SCHEMBL9738609 0.79 HPD (0.36) HPDKDM4EALDH1A1MEN1KMT2A
SCHEMBL8693826 0.78 SMN1; SMN2 (0.46) HPDALDH1A1MEN1KMT2AMAPK1
SCHEMBL998698 0.77 HPD (0.42) HPDPOLBKDM4EALDH1A1MEN1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614606-B1 Herbicidal compositions BASF AG (DE) 2003-09-10 EP claimed
US-5990046-A AGGREGATE AMOUNT OF A TRIKETONE OR DIONE HERBICIDE SUCH AS SULCOTRIONE, AND DIMETHENAMID IN A WEIGHT RATIO BETWEEN 1:2 AND 1:10; CONTROLLING WEEDS IN THE PRESENCE OF A CROP; IMPROVED HERBICIDAL ACTIVITY SANDOZ LTD. (CH) 1999-11-23 US claimed
US-5545607-A SYNERGISTIC SANDOZ LTD. (CH) 1996-08-13 US claimed
US-5491124-A PLANT GROWTH REGULATOR; CO-APPLICATION OF CERTAIN CHLOROACETAMIDES SELECTED FROM ACETOCHLOR AND METAZACHLOR AND ATLEAST ONE TRIKETONE SELECTED FROM SULCOTRIONE AND OTHERS SANDOZ LTD. (CH) 1996-02-13 US claimed
EP-0614606-A2 Herbicidal compositions SANDOZ LTD. (CH) 1994-09-14 EP claimed
US-20170035048-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS BIO-GENE TECH LTD (AU) 2017-02-09 US disclosed
US-9474270-B2 Methods and compositions for controlling pests Bioprosepect Limited (AU) 2016-10-25 US disclosed
US-20140336269-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS UNIVERSITY OF WESTERN SYDNEY (AU) 2014-11-13 US disclosed
US-20120184625-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS UNIVERSITY OF WESTERN SYDNEY (AU) 2012-07-19 US disclosed
EP-2272342-B1 Herbicidal compositions BASF SE (DE) 2012-06-27 EP disclosed
EP-2050338-B1 Herbicidal compositions BASF SE (DE) 2011-05-25 EP disclosed
EP-1392119-B1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS BIO GENE TECHNOLOGY LTD (AU) 2011-04-13 EP disclosed
US-5683960-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-11-04 US disclosed
US-5681793-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-28 US disclosed
US-5665674-A SEMICARBAZONES SANDOZ LTD. (CH) 1997-09-09 US disclosed
US-5665673-A SEMICARBAZONES BASF AKTIENGESELLSCHAFT (DE) 1997-09-09 US disclosed
US-5545607-A SYNERGISTIC SANDOZ LTD. (CH) 1996-08-13 US disclosed
US-5491124-A PLANT GROWTH REGULATOR; CO-APPLICATION OF CERTAIN CHLOROACETAMIDES SELECTED FROM ACETOCHLOR AND METAZACHLOR AND ATLEAST ONE TRIKETONE SELECTED FROM SULCOTRIONE AND OTHERS SANDOZ LTD. (CH) 1996-02-13 US disclosed
EP-0646315-A1 Novel compositions containing an auxin transport inhibitor and another herbicide SANDOZ LTD. (CH) 1995-04-05 EP disclosed
EP-0614606-A2 Herbicidal compositions SANDOZ LTD. (CH) 1994-09-14 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 (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-20120184625-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS CYP51A1, MAVS, JUP HPD 805/4885POLB 2369/4885KDM4E 431/4885
US-20140336269-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS CYP51A1, MAVS, JUP HPD 805/4885POLB 2369/4885KDM4E 431/4885
US-20170035048-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS CYP51A1, JUP, COX15 HPD 582/4885POLB 1814/4885KDM4E 433/4885

“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.