SCHEMBL2014886

SCHEMBL2014886

O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC1CBr

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 3/20 0.60
MCOLN3 Q8TDD5 1/20 0.60
POLB P06746 2/20 0.59
LMNA P02545 2/20 0.59
PKM P14618 1/20 0.53
ACHE P22303 1/20 0.52
MEN1 O00255 5/20 0.50
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.46

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
SCHEMBL28032786 0.89 ALDH1A1 (0.56) KMT2AALDH1A1MCOLN3POLBLMNA
SCHEMBL3227122 0.89 KMT2A (0.70) KMT2AALDH1A1MCOLN3POLBLMNA
SCHEMBL3227131 0.89 KMT2A (0.70) KMT2AALDH1A1MCOLN3POLBLMNA
SCHEMBL7570506 0.83 ALDH1A1 (0.56) KMT2AALDH1A1MCOLN3POLBLMNA
SCHEMBL18794812 0.79 ALDH1A1 (0.69) KMT2AALDH1A1MCOLN3POLBLMNA
SCHEMBL30253420 0.78 ALDH1A1 (0.51) KMT2AALDH1A1MCOLN3POLBLMNA
SCHEMBL1791317 0.75 KMT2A (0.58) KMT2AALDH1A1MCOLN3POLBLMNA
SCHEMBL6096659 0.74 ALDH1A1 (0.56) KMT2AALDH1A1MCOLN3POLBLMNA
SCHEMBL18794875 0.74 ALDH1A1 (0.56) KMT2AALDH1A1MCOLN3POLBLMNA
SCHEMBL3778136 0.74 ALDH1A1 (0.59) KMT2AALDH1A1MCOLN3POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11357231-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION LLC (US) 2022-06-14 US disclosed
US-20200383330-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2020-12-10 US disclosed
US-10750745-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2020-08-25 US disclosed
US-20190166842-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2019-06-06 US disclosed
US-10206400-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 US disclosed
US-20170152250-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2017-06-01 US disclosed
US-9609869-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2017-04-04 US disclosed
US-20140228577-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-08-14 US disclosed
US-8735362-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2014-05-27 US disclosed
EP-2507230-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES Syngenta Participations AG (CH) 2012-10-10 EP disclosed
US-20120238517-A1 INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-09-20 US disclosed
WO-2011067272-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-06-09 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 (8 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-20140228577-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 KMT2A 2824/4885ALDH1A1 238/4885MCOLN3 662/4885
US-20200383330-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CYP4X1, NPY4R, CASP3 KMT2A 2510/4885ALDH1A1 1543/4885MCOLN3 2068/4885
US-20120238517-A1 INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 KMT2A 2686/4885ALDH1A1 412/4885MCOLN3 704/4885
US-10206400-B2 Insecticidal compounds based on isoxazoline derivatives CHRM1, ACHE, CHRM2 KMT2A 2824/4885ALDH1A1 238/4885MCOLN3 662/4885
US-11357231-B2 Insecticidal compounds based on isoxazoline derivatives CYP4X1, NPY4R, CASP3 KMT2A 2510/4885ALDH1A1 1543/4885MCOLN3 2068/4885
US-20170152250-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 KMT2A 2824/4885ALDH1A1 238/4885MCOLN3 662/4885
US-10750745-B2 Insecticidal compounds based on isoxazoline derivatives CHRM1, ACHE, CHRM2 KMT2A 2824/4885ALDH1A1 238/4885MCOLN3 662/4885
US-20190166842-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 KMT2A 2824/4885ALDH1A1 238/4885MCOLN3 662/4885

“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.